N-[[4-(azepan-1-yl)phenyl]methyl]-2-isoquinolin-5-yl-propanamide

Systemtic Name: N-[[4-(azepan-1-yl)phenyl]methyl]-2-isoquinolin-5-yl-propanamide Openeye Name: N-[[4-(azepan-1-yl)phenyl]methyl]-2-(5-isoquinolyl)propanamide CAS Name: N-[[4-(1-azepanyl)phenyl]methyl]-2-(5-isoquinolinyl)propanamide IUPAC Name: N-[[4-(azepan-1-yl)phenyl]methyl]-2-isoquinolin-5-ylpropanamide Traditional Name: N-[4-(azepan-1-yl)benzyl]-2-(5-isoquinolyl)propionamide Formula: C25H29N3O MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H29N3O/c1-19(23-8-6-7-21-18-26-14-13-24(21)23)25(29)27-17-20-9-11-22(12-10-20)28-15-4-2-3-5-16-28/h6-14,18-19H,2-5,15-17H2,1H3,(H,27,29)