3-[7-chloranyl-3-oxidanylidene-4-(phenylmethyl)quinoxalin-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Systemtic Name: 3-[7-chloranyl-3-oxidanylidene-4-(phenylmethyl)quinoxalin-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: 3-(4-benzyl-7-chloro-3-oxo-quinoxalin-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide CAS Name: 3-[7-chloro-3-oxo-4-(phenylmethyl)-2-quinoxalinyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide IUPAC Name: 3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Traditional Name: 3-(4-benzyl-7-chloro-3-keto-quinoxalin-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionamide Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5)OC1

InChI

InChI=1S/C27H24ClN3O4/c28-19-7-10-23-22(15-19)30-21(27(33)31(23)17-18-5-2-1-3-6-18)9-12-26(32)29-20-8-11-24-25(16-20)35-14-4-13-34-24/h1-3,5-8,10-11,15-16H,4,9,12-14,17H2,(H,29,32)