N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-4-piperidino-N-[4-(4-p-toluoylpiperazino)phenyl]benzamide Formula: C30H33N5O4 MolecularWeight: 527.61412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C30H33N5O4/c1-22-5-7-23(8-6-22)30(37)34-19-17-32(18-20-34)26-12-10-25(11-13-26)31-29(36)24-9-14-27(28(21-24)35(38)39)33-15-3-2-4-16-33/h5-14,21H,2-4,15-20H2,1H3,(H,31,36)