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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(1,5-dimethyl-4-pyrazolyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCC(SC3=C2C=CC(=C3)OC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=NN1C)CN2CCC(SC3=C2C=CC(=C3)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O3S/c1-15-17(12-24-25(15)2)13-26-9-8-22(16-4-7-20-21(10-16)29-14-28-20)30-23-11-18(27-3)5-6-19(23)26/h4-7,10-12,22H,8-9,13-14H2,1-3H3