1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylpyrazol-1-yl)ethanone

Systemtic Name: 1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylpyrazol-1-yl)ethanone Openeye Name: 1-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone CAS Name: 1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methyl-1-pyrazolyl)ethanone IUPAC Name: 1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylpyrazol-1-yl)ethanone Traditional Name: 1-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=CS4

Isomeric SMILES

CC1=CC=NN1CC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S/c1-14-5-6-21-23(14)13-19(24)22-7-8-26-20-16(12-22)10-15(11-17(20)25-2)18-4-3-9-27-18/h3-6,9-11H,7-8,12-13H2,1-2H3