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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-9-methoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-14-5-6-20(27-14)16-9-17-12-24(13-18-11-23(3)22-15(18)2)7-8-26-21(17)19(10-16)25-4/h5-6,9-11H,7-8,12-13H2,1-4H3