(3-nitro-4-piperidin-1-yl-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (3-nitro-4-piperidin-1-yl-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [3-nitro-4-(1-piperidinyl)phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: (4-benzylpiperazino)-(3-nitro-4-piperidino-phenyl)methanone Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c28-23(26-15-13-24(14-16-26)18-19-7-3-1-4-8-19)20-9-10-21(22(17-20)27(29)30)25-11-5-2-6-12-25/h1,3-4,7-10,17H,2,5-6,11-16,18H2