1-(4-azanyl-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)-2,2-diphenyl-ethanone hydrochloride

Systemtic Name: 1-(4-azanyl-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)-2,2-diphenyl-ethanone hydrochloride Openeye Name: 1-(4-amino-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)-2,2-diphenyl-ethanone hydrochloride CAS Name: 1-[4-amino-6,7-dimethoxy-2-(1-piperazinyl)-1H-quinazolin-4-yl]-2,2-diphenylethanone hydrochloride IUPAC Name: 1-(4-amino-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)-2,2-diphenylethanone hydrochloride Traditional Name: 1-(4-amino-6,7-dimethoxy-2-piperazino-1H-quinazolin-4-yl)-2,2-diphenyl-ethanone hydrochloride Formula: C28H32ClN5O3 MolecularWeight: 522.03838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N=C(N2)N3CCNCC3)(C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N=C(N2)N3CCNCC3)(C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)N)OC.Cl

InChI

InChI=1S/C28H31N5O3.ClH/c1-35-23-17-21-22(18-24(23)36-2)31-27(33-15-13-30-14-16-33)32-28(21,29)26(34)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,17-18,25,30H,13-16,29H2,1-2H3,(H,31,32);1H