[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O3/c1-14-2-4-16(22)13-19(14)24-8-10-25(11-9-24)21(27)15-3-7-18(23-17-5-6-17)20(12-15)26(28)29/h2-4,7,12-13,17,23H,5-6,8-11H2,1H3