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

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclobutyl-2-phenyl-ethanone Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclobutyl-2-phenyl-ethanone CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-cyclobutyl-2-phenylethanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-cyclobutyl-2-phenylethanone Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-cyclobutyl-2-phenyl-ethanone Formula: C26H31N5O3 MolecularWeight: 461.55604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C(C4CCC4)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C(C4CCC4)C5=CC=CC=C5)N)OC

InChI

InChI=1S/C26H31N5O3/c1-33-21-15-19-20(16-22(21)34-2)28-26(29-24(19)27)31-13-11-30(12-14-31)25(32)23(18-9-6-10-18)17-7-4-3-5-8-17/h3-5,7-8,15-16,18,23H,6,9-14H2,1-2H3,(H2,27,28,29)