[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(1-phenylcyclohexyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(1-phenylcyclohexyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(1-phenylcyclohexyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(1-phenylcyclohexyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(1-phenylcyclohexyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(1-phenylcyclohexyl)methanone Formula: C27H33N5O3 MolecularWeight: 475.58262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4(CCCCC4)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4(CCCCC4)C5=CC=CC=C5)N)OC

InChI

InChI=1S/C27H33N5O3/c1-34-22-17-20-21(18-23(22)35-2)29-26(30-24(20)28)32-15-13-31(14-16-32)25(33)27(11-7-4-8-12-27)19-9-5-3-6-10-19/h3,5-6,9-10,17-18H,4,7-8,11-16H2,1-2H3,(H2,28,29,30)