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

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H21N3OS/c26-22(24-13-6-14-27-21-10-5-4-9-19(21)24)20-15-18(16-11-12-16)23-25(20)17-7-2-1-3-8-17/h1-5,7-10,15-16H,6,11-14H2