N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-5-nitro-2-piperidino-benzamide Formula: C30H32ClN5O4 MolecularWeight: 562.05918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5)Cl

InChI

InChI=1S/C30H32ClN5O4/c1-21-7-3-4-8-24(21)30(38)35-17-15-34(16-18-35)28-11-9-22(19-26(28)31)32-29(37)25-20-23(36(39)40)10-12-27(25)33-13-5-2-6-14-33/h3-4,7-12,19-20H,2,5-6,13-18H2,1H3,(H,32,37)