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

Systemtic Name: 3-(2-cyanopropan-2-yl)-N-[3-[6-(4-ethylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]-4-methyl-phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[6-(4-ethylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]-4-methyl-phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-N-[3-[6-(4-ethyl-1-piperazinyl)-4-oxo-3-quinazolinyl]-4-methylphenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[3-[6-(4-ethylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-methylphenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[6-(4-ethylpiperazino)-4-keto-quinazolin-3-yl]-4-methyl-phenyl]benzamide Formula: C32H34N6O2 MolecularWeight: 534.65136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC3=C(C=C2)N=CN(C3=O)C4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)C(C)(C)C#N)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC3=C(C=C2)N=CN(C3=O)C4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)C(C)(C)C#N)C

InChI

InChI=1S/C32H34N6O2/c1-5-36-13-15-37(16-14-36)26-11-12-28-27(19-26)31(40)38(21-34-28)29-18-25(10-9-22(29)2)35-30(39)23-7-6-8-24(17-23)32(3,4)20-33/h6-12,17-19,21H,5,13-16H2,1-4H3,(H,35,39)