4-[7-[2,4-bis(oxidanyl)-6-oxidanylidene-6-(3-oxidanylpyrrolidin-1-yl)hexoxy]-6-methoxy-quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[7-[2,4-bis(oxidanyl)-6-oxidanylidene-6-(3-oxidanylpyrrolidin-1-yl)hexoxy]-6-methoxy-quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[7-[2,4-dihydroxy-6-(3-hydroxypyrrolidin-1-yl)-6-oxo-hexoxy]-6-methoxy-quinazolin-4-yl]-N-(4-isopropoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[7-[2,4-dihydroxy-6-(3-hydroxy-1-pyrrolidinyl)-6-oxohexoxy]-6-methoxy-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[7-[2,4-dihydroxy-6-(3-hydroxypyrrolidin-1-yl)-6-oxohexoxy]-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[7-[2,4-dihydroxy-6-(3-hydroxypyrrolidino)-6-keto-hexoxy]-6-methoxy-quinazolin-4-yl]-N-(4-isopropoxyphenyl)piperazine-1-carboxamide Formula: C33H44N6O8 MolecularWeight: 652.73786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCC(CC(CC(=O)N5CCC(C5)O)O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCC(CC(CC(=O)N5CCC(C5)O)O)O

InChI

InChI=1S/C33H44N6O8/c1-21(2)47-26-6-4-22(5-7-26)36-33(44)38-12-10-37(11-13-38)32-27-16-29(45-3)30(17-28(27)34-20-35-32)46-19-25(42)14-24(41)15-31(43)39-9-8-23(40)18-39/h4-7,16-17,20-21,23-25,40-42H,8-15,18-19H2,1-3H3,(H,36,44)