5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[(1,5-dimethyl-4-pyrazolyl)methyl]-8-methoxy-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-2-(4-methoxy-3-methyl-phenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(C3=C(S2)C=C(C=C3)OC)CC4=C(N(N=C4)C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(C3=C(S2)C=C(C=C3)OC)CC4=C(N(N=C4)C)C)OC

InChI

InChI=1S/C24H29N3O2S/c1-16-12-18(6-9-22(16)29-5)23-10-11-27(15-19-14-25-26(3)17(19)2)21-8-7-20(28-4)13-24(21)30-23/h6-9,12-14,23H,10-11,15H2,1-5H3