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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-1-phenyl-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 (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (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-phenyl-ethyl) ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C=CC(=O)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)/C=C/C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C27H23N3O3/c28-27(32)26(22-14-8-3-9-15-22)33-24(31)17-16-23-19-30(18-20-10-4-1-5-11-20)29-25(23)21-12-6-2-7-13-21/h1-17,19,26H,18H2,(H2,28,32)/b17-16+