9-but-3-ynoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-but-3-ynoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-but-3-ynoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-but-3-ynoxy-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-but-3-ynoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-but-3-ynoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)CC4=CN(N=C4C)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)CC4=CN(N=C4C)C

InChI

InChI=1S/C24H27N3O2S/c1-5-6-10-28-22-13-19(23-8-7-17(2)30-23)12-20-15-27(9-11-29-24(20)22)16-21-14-26(4)25-18(21)3/h1,7-8,12-14H,6,9-11,15-16H2,2-4H3