4-[(Z)-3-[(3,4-dichlorophenyl)amino]but-2-enoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(Z)-3-[(3,4-dichlorophenyl)amino]but-2-enoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(Z)-3-(3,4-dichloroanilino)but-2-enoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(Z)-3-(3,4-dichloroanilino)-1-oxobut-2-enyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(Z)-3-(3,4-dichloroanilino)but-2-enoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(Z)-3-(3,4-dichloroanilino)but-2-enoyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C20H17Cl2N3O2 MolecularWeight: 402.27388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C=C(C)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)/C=C(/C)\NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O2/c1-12(23-14-8-9-16(21)17(22)11-14)10-18(26)19-13(2)24-25(20(19)27)15-6-4-3-5-7-15/h3-11,23-24H,1-2H3/b12-10-