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

Systemtic Name: 3-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O3/c31-25(22-9-10-23(24(19-22)30(32)33)29-13-4-5-14-29)26-11-6-12-27-15-17-28(18-16-27)20-21-7-2-1-3-8-21/h1-3,7-10,19H,4-6,11-18,20H2,(H,26,31)