1-oxidanylidene-N-(4-piperidin-1-ylphenyl)-2H-isoquinoline-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-(4-piperidin-1-ylphenyl)-2H-isoquinoline-3-carboxamide Openeye Name: 1-oxo-N-[4-(1-piperidyl)phenyl]-2H-isoquinoline-3-carboxamide CAS Name: 1-oxo-N-[4-(1-piperidinyl)phenyl]-2H-isoquinoline-3-carboxamide IUPAC Name: 1-oxo-N-(4-piperidin-1-ylphenyl)-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-(4-piperidinophenyl)-2H-isoquinoline-3-carboxamide Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H21N3O2/c25-20-18-7-3-2-6-15(18)14-19(23-20)21(26)22-16-8-10-17(11-9-16)24-12-4-1-5-13-24/h2-3,6-11,14H,1,4-5,12-13H2,(H,22,26)(H,23,25)