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

Systemtic Name: N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methyl]thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methyl]-2-thiazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[5-(4-cyanobenzyl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)C#N)OC1

InChI

InChI=1S/C21H17N3O3S/c22-12-15-4-2-14(3-5-15)10-17-13-23-21(28-17)24-20(25)16-6-7-18-19(11-16)27-9-1-8-26-18/h2-7,11,13H,1,8-10H2,(H,23,24,25)