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

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-(1-imidazolyl)-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: (4-benzylpiperazino)-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c27-21(24-12-10-23(11-13-24)15-17-4-2-1-3-5-17)18-6-7-19(20(14-18)26(28)29)25-9-8-22-16-25/h1-9,14,16H,10-13,15H2