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

Systemtic Name: (1-tert-butyl-5-cyclopropyl-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (1-tert-butyl-5-cyclopropyl-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (1-tert-butyl-5-cyclopropyl-3-pyrazolyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (1-tert-butyl-5-cyclopropyl-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C(=C3)C4CC4)C(C)(C)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C(=C3)C4CC4)C(C)(C)C

InChI

InChI=1S/C21H27N3OS/c1-14-11-12-23(17-7-5-6-8-19(17)26-14)20(25)16-13-18(15-9-10-15)24(22-16)21(2,3)4/h5-8,13-15H,9-12H2,1-4H3