[4-(cyclopropylamino)-3-nitro-phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(o-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-[(2-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2-methylbenzyl)piperazino]methanone Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c1-16-4-2-3-5-18(16)15-24-10-12-25(13-11-24)22(27)17-6-9-20(23-19-7-8-19)21(14-17)26(28)29/h2-6,9,14,19,23H,7-8,10-13,15H2,1H3