1-[4-[1,3-benzodioxol-5-yl(ethyl)amino]quinazolin-2-yl]piperidine-3-carboxamide

Systemtic Name: 1-[4-[1,3-benzodioxol-5-yl(ethyl)amino]quinazolin-2-yl]piperidine-3-carboxamide Openeye Name: 1-[4-[1,3-benzodioxol-5-yl(ethyl)amino]quinazolin-2-yl]piperidine-3-carboxamide CAS Name: 1-[4-[1,3-benzodioxol-5-yl(ethyl)amino]-2-quinazolinyl]-3-piperidinecarboxamide IUPAC Name: 1-[4-[1,3-benzodioxol-5-yl(ethyl)amino]quinazolin-2-yl]piperidine-3-carboxamide Traditional Name: 1-[4-[1,3-benzodioxol-5-yl(ethyl)amino]quinazolin-2-yl]nipecotamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)OCO2)C3=NC(=NC4=CC=CC=C43)N5CCCC(C5)C(=O)N

Isomeric SMILES

CCN(C1=CC2=C(C=C1)OCO2)C3=NC(=NC4=CC=CC=C43)N5CCCC(C5)C(=O)N

InChI

InChI=1S/C23H25N5O3/c1-2-28(16-9-10-19-20(12-16)31-14-30-19)22-17-7-3-4-8-18(17)25-23(26-22)27-11-5-6-15(13-27)21(24)29/h3-4,7-10,12,15H,2,5-6,11,13-14H2,1H3,(H2,24,29)