3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxidanylidene-6-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]phenyl]benzamide

Systemtic Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxidanylidene-6-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[6-(4-isopropylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]-4-methyl-phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-6-(4-propan-2-yl-1-piperazinyl)-3-quinazolinyl]phenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-6-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]phenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[6-(4-isopropylpiperazino)-4-keto-quinazolin-3-yl]-4-methyl-phenyl]benzamide Formula: C33H36N6O2 MolecularWeight: 548.67794

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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=C(C=C4)N5CCN(CC5)C(C)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=C(C=C4)N5CCN(CC5)C(C)C

InChI

InChI=1S/C33H36N6O2/c1-22(2)37-13-15-38(16-14-37)27-11-12-29-28(19-27)32(41)39(21-35-29)30-18-26(10-9-23(30)3)36-31(40)24-7-6-8-25(17-24)33(4,5)20-34/h6-12,17-19,21-22H,13-16H2,1-5H3,(H,36,40)