3-[(7E)-2-azanyl-7-(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-propan-2-yl-1,3-dihydroquinazolin-6-yl]-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[(7E)-2-azanyl-7-(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-propan-2-yl-1,3-dihydroquinazolin-6-yl]-4-methyl-benzenecarbonitrile Openeye Name: 3-[(7E)-2-amino-2-isopropyl-7-(2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroquinazolin-6-yl]-4-methyl-benzonitrile CAS Name: 3-[(7E)-2-amino-7-(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-propan-2-yl-1,3-dihydroquinazolin-6-yl]-4-methylbenzonitrile IUPAC Name: 3-[(7E)-2-amino-7-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-propan-2-yl-1,3-dihydroquinazolin-6-yl]-4-methylbenzonitrile Traditional Name: 3-[(7E)-2-amino-2-isopropyl-7-(4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroquinazolin-6-yl]-4-methyl-benzonitrile Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)C2=CC3=CNC(NC3=CC2=C4C=CC(=O)C=C4C)(C(C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)C\2=CC3=CNC(NC3=C/C2=C\4/C=CC(=O)C=C4C)(C(C)C)N

InChI

InChI=1S/C26H26N4O/c1-15(2)26(28)29-14-19-11-23(22-10-18(13-27)6-5-16(22)3)24(12-25(19)30-26)21-8-7-20(31)9-17(21)4/h5-12,14-15,29-30H,28H2,1-4H3/b24-21+