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

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-(dimethylamino)-3-nitrophenyl]-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-(dimethylamino)-3-nitrophenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(3-methylbenzyl)piperazino]methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-16-5-4-6-17(13-16)15-23-9-11-24(12-10-23)21(26)18-7-8-19(22(2)3)20(14-18)25(27)28/h4-8,13-14H,9-12,15H2,1-3H3