N-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-[4-(4-chlorobenzoyl)piperazino]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=CC=C3N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

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