[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(ethylamino)-3-nitro-phenyl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(ethylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(ethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[4-(ethylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(ethylamino)-3-nitrophenyl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[4-(ethylamino)-3-nitro-phenyl]methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)[N+](=O)[O-]

InChI

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