3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-quinoxalin-6-yl-but-2-enamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-quinoxalin-6-yl-but-2-enamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-quinoxalin-6-yl-but-2-enamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-quinoxalinyl)-2-butenamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-quinoxalin-6-ylbut-2-enamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-quinoxalin-6-yl-but-2-enamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC2=NC=CN=C2C=C1)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=CC(=O)NC1=CC2=NC=CN=C2C=C1)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H19N3O3/c1-14(15-3-6-19-20(12-15)27-10-2-9-26-19)11-21(25)24-16-4-5-17-18(13-16)23-8-7-22-17/h3-8,11-13H,2,9-10H2,1H3,(H,24,25)