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

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN3O3/c23-20-9-6-17(7-10-20)12-24-21(27)16-29-22(28)11-8-19-13-25-26(15-19)14-18-4-2-1-3-5-18/h1-11,13,15H,12,14,16H2,(H,24,27)/b11-8+