N-(1,3-benzodioxol-5-ylmethyl)-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-piperonyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)N2C1

InChI

InChI=1S/C20H17N3O4/c24-19(21-10-12-3-6-16-17(8-12)27-11-26-16)13-4-5-14-15(9-13)22-18-2-1-7-23(18)20(14)25/h3-6,8-9H,1-2,7,10-11H2,(H,21,24)