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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=NN(C=C1CN2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C23H27N3O2S/c1-16-20(13-25(2)24-16)15-26-9-10-28-23-19(14-26)11-18(12-22(23)27-3)17-5-7-21(29-4)8-6-17/h5-8,11-13H,9-10,14-15H2,1-4H3