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

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone hydrochloride Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methanone hydrochloride CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methanone hydrochloride IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone hydrochloride Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone hydrochloride Formula: C26H29ClN4O2 MolecularWeight: 464.98706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)C6=CC=CC=C6.Cl

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)C6=CC=CC=C6.Cl

InChI

InChI=1S/C26H28N4O2.ClH/c31-26(24-17-23(20-7-8-20)27-30(24)22-4-2-1-3-5-22)29-13-11-28(12-14-29)18-19-6-9-25-21(16-19)10-15-32-25;/h1-6,9,16-17,20H,7-8,10-15,18H2;1H