(3-chloranyl-4-methyl-phenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-4-methyl-phenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-4-methyl-phenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-chloro-4-methylphenyl)-[4-[3-(ethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-methylphenyl)-[4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-4-methyl-phenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazino]methanone Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-3-22-18-13-16(6-7-19(18)25(27)28)23-8-10-24(11-9-23)20(26)15-5-4-14(2)17(21)12-15/h4-7,12-13,22H,3,8-11H2,1-2H3