N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-3-[4-(phenylmethyl)piperazin-1-yl]pyridine-4-carboxamide

Systemtic Name: N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-3-[4-(phenylmethyl)piperazin-1-yl]pyridine-4-carboxamide Openeye Name: N-(3-amino-1-benzyl-2,3-dioxo-propyl)-3-(4-benzylpiperazin-1-yl)pyridine-4-carboxamide CAS Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[4-(phenylmethyl)-1-piperazinyl]-4-pyridinecarboxamide IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-benzylpiperazin-1-yl)pyridine-4-carboxamide Traditional Name: N-(3-amino-1-benzyl-2,3-diketo-propyl)-3-(4-benzylpiperazino)isonicotinamide Formula: C27H29N5O3 MolecularWeight: 471.55086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CN=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CN=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)N

InChI

InChI=1S/C27H29N5O3/c28-26(34)25(33)23(17-20-7-3-1-4-8-20)30-27(35)22-11-12-29-18-24(22)32-15-13-31(14-16-32)19-21-9-5-2-6-10-21/h1-12,18,23H,13-17,19H2,(H2,28,34)(H,30,35)