N-(1H-imidazol-2-ylmethyl)-N-(4-phenylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(1H-imidazol-2-ylmethyl)-N-(4-phenylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(1H-imidazol-2-ylmethyl)-N-(4-phenylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(1H-imidazol-2-ylmethyl)-N-(4-phenylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(1H-imidazol-2-ylmethyl)-N-(4-phenylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(1H-imidazol-2-ylmethyl)-N-(4-phenylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CC3=NC=CN3)C4CCC(CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CC3=NC=CN3)C4CCC(CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C26H29N3O3/c30-26(21-9-12-23-24(17-21)32-16-4-15-31-23)29(18-25-27-13-14-28-25)22-10-7-20(8-11-22)19-5-2-1-3-6-19/h1-3,5-6,9,12-14,17,20,22H,4,7-8,10-11,15-16,18H2,(H,27,28)