N-(4-nitrophenyl)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanamide

Systemtic Name: N-(4-nitrophenyl)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanamide Openeye Name: 4-(4-benzylpiperazin-1-yl)-N-(4-nitrophenyl)-4-oxo-butanamide CAS Name: N-(4-nitrophenyl)-4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butanamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)-N-(4-nitrophenyl)-4-oxobutanamide Traditional Name: 4-(4-benzylpiperazino)-4-keto-N-(4-nitrophenyl)butyramide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c26-20(22-18-6-8-19(9-7-18)25(28)29)10-11-21(27)24-14-12-23(13-15-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,26)