3-(3-ethyl-1-methyl-piperidin-4-yl)-6-(2-methylpropyl)-2H-indazole; prop-2-enoic acid

Systemtic Name: 3-(3-ethyl-1-methyl-piperidin-4-yl)-6-(2-methylpropyl)-2H-indazole; prop-2-enoic acid Openeye Name: acrylic acid; 3-(3-ethyl-1-methyl-4-piperidyl)-6-isobutyl-2H-indazole CAS Name: 3-(3-ethyl-1-methyl-4-piperidinyl)-6-(2-methylpropyl)-2H-indazole; 2-propenoic acid IUPAC Name: 3-(3-ethyl-1-methylpiperidin-4-yl)-6-(2-methylpropyl)-2H-indazole; prop-2-enoic acid Traditional Name: acrylic acid; 3-(3-ethyl-1-methyl-4-piperidyl)-6-isobutyl-2H-indazole Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1C2=C3C=CC(=CC3=NN2)CC(C)C)C.C=CC(=O)O

Isomeric SMILES

CCC1CN(CCC1C2=C3C=CC(=CC3=NN2)CC(C)C)C.C=CC(=O)O

InChI

InChI=1S/C19H29N3.C3H4O2/c1-5-15-12-22(4)9-8-16(15)19-17-7-6-14(10-13(2)3)11-18(17)20-21-19;1-2-3(4)5/h6-7,11,13,15-16H,5,8-10,12H2,1-4H3,(H,20,21);2H,1H2,(H,4,5)