N-[4-(azepan-1-yl)phenyl]-3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-(1,3-diketo-4H-isoquinolin-2-yl)propionamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O3/c28-22(13-16-27-23(29)17-18-7-3-4-8-21(18)24(27)30)25-19-9-11-20(12-10-19)26-14-5-1-2-6-15-26/h3-4,7-12H,1-2,5-6,13-17H2,(H,25,28)