3-[6-[4-(cyanomethyl)piperazin-1-yl]-4-oxidanylidene-quinazolin-3-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-[4-(cyanomethyl)piperazin-1-yl]-4-oxidanylidene-quinazolin-3-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-[4-(cyanomethyl)piperazin-1-yl]-4-oxo-quinazolin-3-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-[4-(cyanomethyl)-1-piperazinyl]-4-oxo-3-quinazolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-[4-(cyanomethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-[4-(cyanomethyl)piperazino]-4-keto-quinazolin-3-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)N5CCN(CC5)CC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)N5CCN(CC5)CC#N

InChI

InChI=1S/C25H26N6O2/c1-17-2-3-18(24(32)28-19-4-5-19)14-23(17)31-16-27-22-7-6-20(15-21(22)25(31)33)30-12-10-29(9-8-26)11-13-30/h2-3,6-7,14-16,19H,4-5,9-13H2,1H3,(H,28,32)