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

Systemtic Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxidanylidene-6-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-3-yl]phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-N-[4-methyl-3-[4-oxo-6-[4-(1-piperidyl)-1-piperidyl]quinazolin-3-yl]phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-6-[4-(1-piperidinyl)-1-piperidinyl]-3-quinazolinyl]phenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-6-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-3-yl]phenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[4-keto-6-(4-piperidinopiperidino)quinazolin-3-yl]-4-methyl-phenyl]benzamide Formula: C36H40N6O2 MolecularWeight: 588.7418

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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)N5CCC(CC5)N6CCCCC6

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)N5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C36H40N6O2/c1-25-10-11-28(39-34(43)26-8-7-9-27(20-26)36(2,3)23-37)21-33(25)42-24-38-32-13-12-30(22-31(32)35(42)44)41-18-14-29(15-19-41)40-16-5-4-6-17-40/h7-13,20-22,24,29H,4-6,14-19H2,1-3H3,(H,39,43)