N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)Cl)OC1

InChI

InChI=1S/C21H20ClN3O4/c22-15-10-13(11-17-20(15)29-9-3-8-28-17)12-23-19(26)7-6-18-24-16-5-2-1-4-14(16)21(27)25-18/h1-2,4-5,10-11H,3,6-9,12H2,(H,23,26)(H,24,25,27)