1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OCCC#C)C4=CC=C(S4)C

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OCCC#C)C4=CC=C(S4)C

InChI

InChI=1S/C25H27N3O3S/c1-4-5-13-30-22-16-20(23-7-6-19(3)32-23)15-21-17-27(12-14-31-25(21)22)24(29)9-11-28-10-8-18(2)26-28/h1,6-8,10,15-16H,5,9,11-14,17H2,2-3H3