[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone

Systemtic Name: [9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone Openeye Name: [9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone CAS Name: [9-methoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone IUPAC Name: [9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone Traditional Name: [9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C4=CNN=C4

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C4=CNN=C4

InChI

InChI=1S/C19H19N3O3S/c1-12-3-4-17(26-12)13-7-14-11-22(19(23)15-9-20-21-10-15)5-6-25-18(14)16(8-13)24-2/h3-4,7-10H,5-6,11H2,1-2H3,(H,20,21)