ethyl (E)-3-(5-cyclopenta-1,3-dien-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)but-2-enoate

Systemtic Name: ethyl (E)-3-(5-cyclopenta-1,3-dien-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)but-2-enoate Openeye Name: ethyl (E)-3-(5-cyclopenta-1,3-dien-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)but-2-enoate CAS Name: (E)-3-[5-(1-cyclopenta-1,3-dienyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(5-cyclopenta-1,3-dien-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)but-2-enoate Traditional Name: (E)-3-(3-cyclopenta-1,3-dien-1-yl-5-phenyl-2-pyrazolin-1-yl)but-2-enoic acid ethyl ester Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N1C(CC(=N1)C2=CC=CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C(\C)/N1C(CC(=N1)C2=CC=CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2/c1-3-24-20(23)13-15(2)22-19(17-11-5-4-6-12-17)14-18(21-22)16-9-7-8-10-16/h4-9,11-13,19H,3,10,14H2,1-2H3/b15-13+