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

Systemtic Name: 3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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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)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O3/c34-28(23-8-13-26(27(20-23)33(35)36)32-14-4-5-15-32)29-24-9-11-25(12-10-24)31-18-16-30(17-19-31)21-22-6-2-1-3-7-22/h1-3,6-13,20H,4-5,14-19,21H2,(H,29,34)