N-(1,3-benzodioxol-5-yl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC5=C(C=C4)OCO5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC5=C(C=C4)OCO5)C(=O)N2CC1

InChI

InChI=1S/C21H19N3O4/c25-20(22-14-6-8-17-18(11-14)28-12-27-17)13-5-7-15-16(10-13)23-19-4-2-1-3-9-24(19)21(15)26/h5-8,10-11H,1-4,9,12H2,(H,22,25)