N-(1,3-benzodioxol-5-ylmethyl)-11-oxidanylidene-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-11-oxidanylidene-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide Traditional Name: 11-keto-N-piperonyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C1

Isomeric SMILES

C1CCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C1

InChI

InChI=1S/C21H19N3O4/c25-20(22-11-13-4-7-17-18(9-13)28-12-27-17)14-5-6-15-16(10-14)23-19-3-1-2-8-24(19)21(15)26/h4-7,9-10H,1-3,8,11-12H2,(H,22,25)