N-[4-(azepan-1-yl)phenyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(azepan-1-yl)phenyl]acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(1-azepanyl)phenyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(azepan-1-yl)phenyl]acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H29N3O2/c1-19(29)28-17-14-20-8-4-5-9-23(20)24(28)18-25(30)26-21-10-12-22(13-11-21)27-15-6-2-3-7-16-27/h4-5,8-14,17,24H,2-3,6-7,15-16,18H2,1H3,(H,26,30)/t24-/m0/s1