N-[[(2R)-7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[[(2R)-7-chloro-5-(3-thienyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[[(2R)-7-chloro-5-(3-thiophenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[[(2R)-7-chloro-5-(3-thienyl)coumaran-2-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CSC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=CSC=C4)Cl)C

InChI

InChI=1S/C19H18ClN3O2S/c1-11-5-17(23(2)22-11)19(24)21-9-15-7-14-6-13(12-3-4-26-10-12)8-16(20)18(14)25-15/h3-6,8,10,15H,7,9H2,1-2H3,(H,21,24)/t15-/m1/s1