2-methyl-3-[(4-methylphenyl)amino]-7-propan-2-yl-azulene-1,5-dione

Systemtic Name: 2-methyl-3-[(4-methylphenyl)amino]-7-propan-2-yl-azulene-1,5-dione Openeye Name: 7-isopropyl-2-methyl-3-(4-methylanilino)azulene-1,5-dione CAS Name: 2-methyl-3-(4-methylanilino)-7-propan-2-ylazulene-1,5-dione IUPAC Name: 2-methyl-3-(4-methylanilino)-7-propan-2-ylazulene-1,5-dione Traditional Name: 7-isopropyl-2-methyl-3-(p-toluidino)azulene-1,5-quinone Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC(=CC(=O)C=C32)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC(=CC(=O)C=C32)C(C)C)C

InChI

InChI=1S/C21H21NO2/c1-12(2)15-9-17(23)11-18-19(10-15)21(24)14(4)20(18)22-16-7-5-13(3)6-8-16/h5-12,22H,1-4H3