N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamide

Systemtic Name: N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamide Openeye Name: N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide CAS Name: N-[[1-(3-methoxyphenyl)-4-pyrazolyl]methyl]-N-methyl-2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide IUPAC Name: N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide Traditional Name: N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC(=CC=C2)OC)C(=O)CN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC(=CC=C2)OC)C(=O)CN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

InChI

InChI=1S/C27H28N4O3S/c1-29(14-20-13-28-31(15-20)23-7-5-8-24(12-23)33-2)27(32)18-30-16-21-6-3-4-9-25(21)34-26(17-30)22-10-11-35-19-22/h3-13,15,19,26H,14,16-18H2,1-2H3