4-[6-(hydroxymethyl)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(hydroxymethyl)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(hydroxymethyl)-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-(4-isopropoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[6-(hydroxymethyl)-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(hydroxymethyl)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide Traditional Name: N-(4-isopropoxyphenyl)-4-[6-methylol-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide Formula: C31H42N6O4 MolecularWeight: 562.70298

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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)CO)OCCCN5CCCCC5

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)CO)OCCCN5CCCCC5

InChI

InChI=1S/C31H42N6O4/c1-23(2)41-26-9-7-25(8-10-26)34-31(39)37-16-14-36(15-17-37)30-27-19-24(21-38)29(20-28(27)32-22-33-30)40-18-6-13-35-11-4-3-5-12-35/h7-10,19-20,22-23,38H,3-6,11-18,21H2,1-2H3,(H,34,39)