N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(3-phenylphenyl)methyl]-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(3-phenylphenyl)methyl]-N-(2-thiazolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-phenylbenzyl)-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CC=CC(=C3)C4=CC=CC=C4)CC5=NC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CC=CC(=C3)C4=CC=CC=C4)CC5=NC=CS5)OC1

InChI

InChI=1S/C27H24N2O3S/c30-27(23-10-11-24-25(17-23)32-14-5-13-31-24)29(19-26-28-12-15-33-26)18-20-6-4-9-22(16-20)21-7-2-1-3-8-21/h1-4,6-12,15-17H,5,13-14,18-19H2