N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]-5-nitro-2-piperidino-benzamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C31H35N5O4/c1-2-23-6-8-24(9-7-23)31(38)35-20-18-33(19-21-35)26-12-10-25(11-13-26)32-30(37)28-22-27(36(39)40)14-15-29(28)34-16-4-3-5-17-34/h6-15,22H,2-5,16-21H2,1H3,(H,32,37)