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

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cycloheptyl-2-(4-methylphenyl)ethanone Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cycloheptyl-2-(p-tolyl)ethanone CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-cycloheptyl-2-(4-methylphenyl)ethanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-cycloheptyl-2-(4-methylphenyl)ethanone Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-cycloheptyl-2-(p-tolyl)ethanone Formula: C30H39N5O3 MolecularWeight: 517.66236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CCCCCC2)C(=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CCCCCC2)C(=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

InChI

InChI=1S/C30H39N5O3/c1-20-10-12-22(13-11-20)27(21-8-6-4-5-7-9-21)29(36)34-14-16-35(17-15-34)30-32-24-19-26(38-3)25(37-2)18-23(24)28(31)33-30/h10-13,18-19,21,27H,4-9,14-17H2,1-3H3,(H2,31,32,33)