[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-(5-cyclopropyl-2-phenyl-3-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-cyclopropyl-2-phenylpyrazol-3-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazino]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C25H25N5OS/c31-25(22-16-21(18-10-11-18)27-30(22)19-6-2-1-3-7-19)29-14-12-28(13-15-29)17-24-26-20-8-4-5-9-23(20)32-24/h1-9,16,18H,10-15,17H2