N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]-3-nitro-4-piperidino-benzamide Formula: C29H30ClN5O4 MolecularWeight: 548.0326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H30ClN5O4/c30-24-20-23(10-12-25(24)33-15-17-34(18-16-33)29(37)21-7-3-1-4-8-21)31-28(36)22-9-11-26(27(19-22)35(38)39)32-13-5-2-6-14-32/h1,3-4,7-12,19-20H,2,5-6,13-18H2,(H,31,36)