3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[7-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]benzamide

Systemtic Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[7-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-N-[4-methyl-3-[7-(4-methyl-1,4-diazepan-1-yl)-4-oxo-quinazolin-3-yl]phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[7-(4-methyl-1,4-diazepan-1-yl)-4-oxo-3-quinazolinyl]phenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[7-(4-methyl-1,4-diazepan-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[4-keto-7-(4-methyl-1,4-diazepan-1-yl)quinazolin-3-yl]-4-methyl-phenyl]benzamide Formula: C32H34N6O2 MolecularWeight: 534.65136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N3C=NC4=C(C3=O)C=CC(=C4)N5CCCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N3C=NC4=C(C3=O)C=CC(=C4)N5CCCN(CC5)C

InChI

InChI=1S/C32H34N6O2/c1-22-9-10-25(35-30(39)23-7-5-8-24(17-23)32(2,3)20-33)18-29(22)38-21-34-28-19-26(11-12-27(28)31(38)40)37-14-6-13-36(4)15-16-37/h5,7-12,17-19,21H,6,13-16H2,1-4H3,(H,35,39)