(4-chlorophenyl)-[4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-chlorophenyl)-[4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-[3-(isobutylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-[3-(2-methylpropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-chlorophenyl)-[4-[3-(2-methylpropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-[3-(isobutylamino)-4-nitro-phenyl]piperazino]methanone Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O3/c1-15(2)14-23-19-13-18(7-8-20(19)26(28)29)24-9-11-25(12-10-24)21(27)16-3-5-17(22)6-4-16/h3-8,13,15,23H,9-12,14H2,1-2H3