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

Systemtic Name: 3-[2-azanyl-7-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2-propan-2-yl-1,3-dihydroquinazolin-6-yl]-4-methyl-benzenecarbonitrile Openeye Name: 3-[2-amino-2-isopropyl-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroquinazolin-6-yl]-4-methyl-benzonitrile CAS Name: 3-[2-amino-7-(4-oxo-1-cyclohexa-2,5-dienylidene)-2-propan-2-yl-1,3-dihydroquinazolin-6-yl]-4-methylbenzonitrile IUPAC Name: 3-[2-amino-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-propan-2-yl-1,3-dihydroquinazolin-6-yl]-4-methylbenzonitrile Traditional Name: 3-[2-amino-2-isopropyl-7-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroquinazolin-6-yl]-4-methyl-benzonitrile Formula: C25H24N4O MolecularWeight: 396.48426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)C2=CC3=CNC(NC3=CC2=C4C=CC(=O)C=C4)(C(C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)C2=CC3=CNC(NC3=CC2=C4C=CC(=O)C=C4)(C(C)C)N

InChI

InChI=1S/C25H24N4O/c1-15(2)25(27)28-14-19-11-23(21-10-17(13-26)5-4-16(21)3)22(12-24(19)29-25)18-6-8-20(30)9-7-18/h4-12,14-15,28-29H,27H2,1-3H3