(3,4-dimethylphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-[3-(ethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazino]methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-4-22-19-14-18(7-8-20(19)25(27)28)23-9-11-24(12-10-23)21(26)17-6-5-15(2)16(3)13-17/h5-8,13-14,22H,4,9-12H2,1-3H3