N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-4-(4-nitroanilino)butanamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(4-nitroanilino)butanamide Traditional Name: N-[2-[4-(m-tolyl)piperazino]ethyl]-4-(4-nitroanilino)butyramide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O3/c1-19-4-2-5-22(18-19)27-16-14-26(15-17-27)13-12-25-23(29)6-3-11-24-20-7-9-21(10-8-20)28(30)31/h2,4-5,7-10,18,24H,3,6,11-17H2,1H3,(H,25,29)