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

Systemtic Name: 2-methyl-N-(4-methylphenyl)-N-[(4-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]propanamide Openeye Name: 2-methyl-N-(p-tolyl)-N-[[4-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]propanamide CAS Name: 2-methyl-N-(4-methylphenyl)-N-[[4-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]propanamide IUPAC Name: 2-methyl-N-(4-methylphenyl)-N-[[4-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]propanamide Traditional Name: 2-methyl-N-(p-tolyl)-N-[[4-(2-thenoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]propionamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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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)C4=CC=CS4)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CS4)C(=O)C(C)C

InChI

InChI=1S/C26H28N2O3S/c1-18(2)25(29)28(22-9-6-19(3)7-10-22)16-20-8-11-23-21(15-20)17-27(12-13-31-23)26(30)24-5-4-14-32-24/h4-11,14-15,18H,12-13,16-17H2,1-3H3