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

Systemtic Name: (4-chlorophenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-[3-(isopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-chlorophenyl)-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-[3-(isopropylamino)-4-nitro-phenyl]piperazino]methanone Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O3/c1-14(2)22-18-13-17(7-8-19(18)25(27)28)23-9-11-24(12-10-23)20(26)15-3-5-16(21)6-4-15/h3-8,13-14,22H,9-12H2,1-2H3