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

Systemtic Name: N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H28ClN5O4 MolecularWeight: 534.00602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C28H28ClN5O4/c29-23-19-22(30-27(35)21-8-10-25(26(18-21)34(37)38)31-12-4-5-13-31)9-11-24(23)32-14-16-33(17-15-32)28(36)20-6-2-1-3-7-20/h1-3,6-11,18-19H,4-5,12-17H2,(H,30,35)