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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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