N-[(3,4-dimethoxyphenyl)methyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-veratryl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)OC

InChI

InChI=1S/C21H21N3O4/c1-27-17-8-5-13(10-18(17)28-2)12-22-20(25)14-6-7-15-16(11-14)23-19-4-3-9-24(19)21(15)26/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,25)