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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-(4-piperidinophenyl)propionamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c27-21(24-18-8-10-19(11-9-18)25-13-4-1-5-14-25)12-15-26-22(28)16-17-6-2-3-7-20(17)23(26)29/h2-3,6-11H,1,4-5,12-16H2,(H,24,27)