1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[6-chloro-4-(piperonylamino)quinazolin-2-yl]isonipecotamide Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22ClN5O3/c23-15-2-3-17-16(10-15)21(25-11-13-1-4-18-19(9-13)31-12-30-18)27-22(26-17)28-7-5-14(6-8-28)20(24)29/h1-4,9-10,14H,5-8,11-12H2,(H2,24,29)(H,25,26,27)