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

Systemtic Name: N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamide Openeye Name: N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide CAS Name: N-[2-(1-methyl-4-pyrazolyl)ethyl]-2-[7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide IUPAC Name: N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide Traditional Name: N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)CC(=O)NCCC3=CN(N=C3)C)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN(C2)CC(=O)NCCC3=CN(N=C3)C)C4=CSC=C4

InChI

InChI=1S/C22H26N4O2S/c1-16-3-4-20-19(9-16)12-26(13-21(28-20)18-6-8-29-15-18)14-22(27)23-7-5-17-10-24-25(2)11-17/h3-4,6,8-11,15,21H,5,7,12-14H2,1-2H3,(H,23,27)