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

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-14-9-15(2)24(22-14)13-20(25)23-6-7-27-21-17(12-23)10-16(11-18(21)26-3)19-5-4-8-28-19/h4-5,8-11H,6-7,12-13H2,1-3H3