6-chloranyl-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C(=C4)Cl)OCCCO5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C(=C4)Cl)OCCCO5)C(=O)N2C1

InChI

InChI=1S/C21H18ClN3O4/c22-15-9-12(10-17-19(15)29-8-2-7-28-17)20(26)23-13-4-5-16-14(11-13)21(27)25-6-1-3-18(25)24-16/h4-5,9-11H,1-3,6-8H2,(H,23,26)