(1-azanyl-1-oxidanylidene-propan-2-yl) (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C=CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N)OC(=O)/C=C/C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-16(22(23)27)28-20(26)13-12-19-15-25(14-17-8-4-2-5-9-17)24-21(19)18-10-6-3-7-11-18/h2-13,15-16H,14H2,1H3,(H2,23,27)/b13-12+