[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-phenylcyclohexyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-phenylcyclohexyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-phenylcyclohexyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3-phenylcyclohexyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-phenylcyclohexyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(3-phenylcyclohexyl)methanone Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCC(C4)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCC(C4)C5=CC=CC=C5)N)OC

InChI

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