4-(2-methyl-3-phenethyl-4-prop-2-enyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(2-methyl-3-phenethyl-4-prop-2-enyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-allyl-2-methyl-3-phenethyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-(2-methyl-3-phenethyl-4-prop-2-enyl-1H-pyrazol-5-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(2-methyl-3-phenethyl-4-prop-2-enyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(4-allyl-1-methyl-5-phenethyl-3-pyrazolin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=C2C=CC(=O)C=C2)N1)CC=C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=C2C=CC(=O)C=C2)N1)CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O/c1-3-7-19-20(15-10-16-8-5-4-6-9-16)23(2)22-21(19)17-11-13-18(24)14-12-17/h3-6,8-9,11-14,22H,1,7,10,15H2,2H3