N-(1,3-benzodioxol-5-yl)-1-(2-pyridin-3-ylquinazolin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyridin-3-ylquinazolin-4-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-pyridyl)quinazolin-4-yl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-pyridinyl)-4-quinazolinyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyridin-3-ylquinazolin-4-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-pyridyl)quinazolin-4-yl]isonipecotamide Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C26H23N5O3/c32-26(28-19-7-8-22-23(14-19)34-16-33-22)17-9-12-31(13-10-17)25-20-5-1-2-6-21(20)29-24(30-25)18-4-3-11-27-15-18/h1-8,11,14-15,17H,9-10,12-13,16H2,(H,28,32)