ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-pyrazol-1-yl-quinazolin-2-yl]piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-pyrazol-1-yl-quinazolin-2-yl]piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-pyrazol-1-yl-quinazolin-2-yl]piperidine-4-carboxylate hydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(1-pyrazolyl)-2-quinazolinyl]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-pyrazol-1-ylquinazolin-2-yl]piperidine-4-carboxylate hydrochloride Traditional Name: 1-[4-(piperonylamino)-6-pyrazol-1-yl-quinazolin-2-yl]isonipecotic acid ethyl ester hydrochloride Formula: C27H29ClN6O4 MolecularWeight: 537.00996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)N4C=CC=N4)C(=N2)NCC5=CC6=C(C=C5)OCO6.Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)N4C=CC=N4)C(=N2)NCC5=CC6=C(C=C5)OCO6.Cl

InChI

InChI=1S/C27H28N6O4.ClH/c1-2-35-26(34)19-8-12-32(13-9-19)27-30-22-6-5-20(33-11-3-10-29-33)15-21(22)25(31-27)28-16-18-4-7-23-24(14-18)37-17-36-23;/h3-7,10-11,14-15,19H,2,8-9,12-13,16-17H2,1H3,(H,28,30,31);1H