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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(1-phenylcycloheptyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(1-phenylcycloheptyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(1-phenylcycloheptyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(1-phenylcycloheptyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(1-phenylcycloheptyl)methanone Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4(CCCCCC4)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4(CCCCCC4)C5=CC=CC=C5)N)OC

InChI

InChI=1S/C28H35N5O3/c1-35-23-18-21-22(19-24(23)36-2)30-27(31-25(21)29)33-16-14-32(15-17-33)26(34)28(12-8-3-4-9-13-28)20-10-6-5-7-11-20/h5-7,10-11,18-19H,3-4,8-9,12-17H2,1-2H3,(H2,29,30,31)