[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C=CC1=C(N(N=C1C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)/C=C/C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C19H22ClN3O3/c1-4-12-21-19(25)14(3)26-17(24)11-10-16-13(2)22-23(18(16)20)15-8-6-5-7-9-15/h5-11,14H,4,12H2,1-3H3,(H,21,25)/b11-10+/t14-/m0/s1