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

Systemtic Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1,5-dimethyl-4-pyrazolyl)methyl]-7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)CC3=C(N(N=C3)C)C)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN(C2)CC3=C(N(N=C3)C)C)C4=CSC=C4

InChI

InChI=1S/C20H23N3OS/c1-14-4-5-19-17(8-14)10-23(11-18-9-21-22(3)15(18)2)12-20(24-19)16-6-7-25-13-16/h4-9,13,20H,10-12H2,1-3H3