N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H19N3O4/c1-24-10-9-22-20(24)19(25)14-3-6-16(7-4-14)23-21(26)15-5-8-17-18(13-15)28-12-2-11-27-17/h3-10,13H,2,11-12H2,1H3,(H,23,26)