N-(4-methylphenyl)-N-[[4-(2-thiophen-2-ylethanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamide

Systemtic Name: N-(4-methylphenyl)-N-[[4-(2-thiophen-2-ylethanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamide Openeye Name: N-(p-tolyl)-N-[[4-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]acetamide CAS Name: N-(4-methylphenyl)-N-[[4-(1-oxo-2-thiophen-2-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]acetamide IUPAC Name: N-(4-methylphenyl)-N-[[4-(2-thiophen-2-ylacetyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]acetamide Traditional Name: N-(p-tolyl)-N-[[4-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]acetamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CC=CS4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CC=CS4)C(=O)C

InChI

InChI=1S/C25H26N2O3S/c1-18-5-8-22(9-6-18)27(19(2)28)16-20-7-10-24-21(14-20)17-26(11-12-30-24)25(29)15-23-4-3-13-31-23/h3-10,13-14H,11-12,15-17H2,1-2H3