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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(p-tolyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-methoxy-7-(p-tolyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CN(N=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CN(N=C4C)C

InChI

InChI=1S/C23H27N3O2/c1-16-5-7-18(8-6-16)19-11-20-14-26(15-21-13-25(3)24-17(21)2)9-10-28-23(20)22(12-19)27-4/h5-8,11-13H,9-10,14-15H2,1-4H3