5-cyclopenta-1,4-dien-1-yl-7-methyl-2-phenyl-6-prop-1-en-2-yl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

Systemtic Name: 5-cyclopenta-1,4-dien-1-yl-7-methyl-2-phenyl-6-prop-1-en-2-yl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione Openeye Name: 5-cyclopenta-1,4-dien-1-yl-6-isopropenyl-7-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione CAS Name: 5-(1-cyclopenta-1,4-dienyl)-7-methyl-6-(1-methylethenyl)-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione IUPAC Name: 5-cyclopenta-1,4-dien-1-yl-7-methyl-2-phenyl-6-prop-1-en-2-yl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione Traditional Name: 5-cyclopenta-1,4-dien-1-yl-6-isopropenyl-7-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-quinone Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)N(C(=O)N2C1)C3=CC=CC=C3)C4=CCC=C4)C(=C)C

Isomeric SMILES

CC1=C(C(N2C(=O)N(C(=O)N2C1)C3=CC=CC=C3)C4=CCC=C4)C(=C)C

InChI

InChI=1S/C21H21N3O2/c1-14(2)18-15(3)13-22-20(25)23(17-11-5-4-6-12-17)21(26)24(22)19(18)16-9-7-8-10-16/h4-7,9-12,19H,1,8,13H2,2-3H3