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

Systemtic Name: 2-(3-methylpyrazol-1-yl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]ethanamide Openeye Name: 2-(3-methylpyrazol-1-yl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]acetamide CAS Name: 2-(3-methyl-1-pyrazolyl)-N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]acetamide IUPAC Name: 2-(3-methylpyrazol-1-yl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]acetamide Traditional Name: 2-(3-methylpyrazol-1-yl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

CC1=NN(C=C1)CC(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C21H24N4O2S/c1-16-6-9-25(23-16)14-21(26)22-8-10-24-12-17-4-2-3-5-19(17)27-20(13-24)18-7-11-28-15-18/h2-7,9,11,15,20H,8,10,12-14H2,1H3,(H,22,26)