1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cycloheptyl-2-phenyl-ethanone

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cycloheptyl-2-phenyl-ethanone Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cycloheptyl-2-phenyl-ethanone CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-cycloheptyl-2-phenylethanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-cycloheptyl-2-phenylethanone Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-cycloheptyl-2-phenyl-ethanone Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C(C4CCCCCC4)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C(C4CCCCCC4)C5=CC=CC=C5)N)OC

InChI

InChI=1S/C29H37N5O3/c1-36-24-18-22-23(19-25(24)37-2)31-29(32-27(22)30)34-16-14-33(15-17-34)28(35)26(21-12-8-5-9-13-21)20-10-6-3-4-7-11-20/h5,8-9,12-13,18-20,26H,3-4,6-7,10-11,14-17H2,1-2H3,(H2,30,31,32)