1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-phenoxy-propan-1-one hydrochloride

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-phenoxy-propan-1-one hydrochloride Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-phenoxy-propan-1-one hydrochloride CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-phenoxy-1-propanone hydrochloride IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-phenoxypropan-1-one hydrochloride Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-3-phenoxy-propan-1-one hydrochloride Formula: C23H28ClN5O4 MolecularWeight: 473.95252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCOC4=CC=CC=C4)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCOC4=CC=CC=C4)N)OC.Cl

InChI

InChI=1S/C23H27N5O4.ClH/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-11-9-27(10-12-28)21(29)8-13-32-16-6-4-3-5-7-16;/h3-7,14-15H,8-13H2,1-2H3,(H2,24,25,26);1H