3-(4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhex-1-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline

HCID 129102

기본 정보

표준 SMILES
COc1ccc(C(C#N)(CCCC2Cc3cc(OC)c(OC)cc3CN2C)C(C)C)cc1OC
InChIKey
AABJQPAMCMMSDZ-UHFFFAOYSA-N
분자식
C28H38N2O4
평균 분자량
466.6 g/mol

이름 및 식별자

우선 이름
3-(4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhex-1-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline
IUPAC
5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile

이름 및 동의어

3-(4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhex-1-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolineRefChem:9110013-[4-(3,4-dimethoxyphenyl)-4-isopropyl-4-cyanobutyl]-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinolineSCHEMBL10771268AABJQPAMCMMSDZ-UHFFFAOYSA-N5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile

데이터베이스 식별자

PubChem CID
129102

물성

구조 계산 물성

XLogP
5.4
극성 표면적
64 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
34

관련 반응

15건

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