1-[4-(3-chlorophenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-4-(2-nitroanilino)butan-1-one Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O3/c21-16-5-3-6-17(15-16)23-11-13-24(14-12-23)20(26)9-4-10-22-18-7-1-2-8-19(18)25(27)28/h1-3,5-8,15,22H,4,9-14H2