(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-1-phenyl-pyrazol-4-yl)methanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N3OS/c1-15-12-13-23(19-10-6-7-11-20(19)26-15)21(25)18-14-22-24(16(18)2)17-8-4-3-5-9-17/h3-11,14-15H,12-13H2,1-2H3