3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-4-methyl-5-phenyl-cyclohex-2-en-1-one

Systemtic Name: 3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-4-methyl-5-phenyl-cyclohex-2-en-1-one Openeye Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-4-methyl-5-phenyl-cyclohex-2-en-1-one CAS Name: 3-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4-methyl-5-phenyl-1-cyclohex-2-enone IUPAC Name: 3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-methyl-5-phenylcyclohex-2-en-1-one Traditional Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-4-methyl-5-phenyl-cyclohex-2-en-1-one Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(=O)C=C1N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)C5=CC=CC=C5

Isomeric SMILES

CC1C(CC(=O)C=C1N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O3/c1-17-20(18-7-5-4-6-8-18)13-19(33)14-23(17)31-9-11-32(12-10-31)27-29-22-16-25(35-3)24(34-2)15-21(22)26(28)30-27/h4-8,14-17,20H,9-13H2,1-3H3,(H2,28,29,30)