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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-diketo-4H-isoquinolin-2-yl)acetamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c27-21(16-26-22(28)15-17-7-3-4-8-20(17)23(26)29)24-18-9-11-19(12-10-18)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-16H2,(H,24,27)