6-chloranyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(4-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c1-26-9-8-24-21(26)19(14-4-6-16(28-2)7-5-14)25-22(27)15-12-17(23)20-18(13-15)29-10-3-11-30-20/h4-9,12-13,19H,3,10-11H2,1-2H3,(H,25,27)