1-[4-(2-azanylquinazolin-4-yl)piperidin-1-yl]-2-[3,4-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 1-[4-(2-azanylquinazolin-4-yl)piperidin-1-yl]-2-[3,4-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-[4-(2-aminoquinazolin-4-yl)-1-piperidyl]-2-(3,4-dihydroxyphenyl)ethanone CAS Name: 1-[4-(2-amino-4-quinazolinyl)-1-piperidinyl]-2-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-2-(3,4-dihydroxyphenyl)ethanone Traditional Name: 1-[4-(2-aminoquinazolin-4-yl)piperidino]-2-(3,4-dihydroxyphenyl)ethanone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NC3=CC=CC=C32)N)C(=O)CC4=CC(=C(C=C4)O)O

Isomeric SMILES

C1CN(CCC1C2=NC(=NC3=CC=CC=C32)N)C(=O)CC4=CC(=C(C=C4)O)O

InChI

InChI=1S/C21H22N4O3/c22-21-23-16-4-2-1-3-15(16)20(24-21)14-7-9-25(10-8-14)19(28)12-13-5-6-17(26)18(27)11-13/h1-6,11,14,26-27H,7-10,12H2,(H2,22,23,24)