(4-methylphenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(isopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[3-(isopropylamino)-4-nitro-phenyl]piperazino]-(p-tolyl)methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C

InChI

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