(rac)-4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl ethylcarbamate

HCID 71811405

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCNC(=O)OC1CCCc2c(-c3ccc(C#N)cc3)cncc21
InChIKey: GWRVJOLJBMOOMZ-UHFFFAOYSA-N
Molecular formula: C19H19N3O2
Average molar mass: 321.4 g/mol

Names & identifiers

Preferred name: (rac)-4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl ethylcarbamate
IUPAC: [4-(4-cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl] N-ethylcarbamate

Names & synonyms

CHEMBL3976971SCHEMBL15311997GWRVJOLJBMOOMZ-UHFFFAOYSA-NBDBM191886US9187429, 12(rac)-4-(4-Cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl ethylcarbamate

Database identifiers

PubChem CID: 71811405
ChEMBL: CHEMBL3976971

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 75 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 478

Related reactions

1 records

New reaction record

HRID 714071As productuspto-grants-2015_11

Compound notes

Loading…