N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(1H-indazol-5-ylamino)-1-piperidyl]-2-phenyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(1H-indazol-5-ylamino)-1-piperidinyl]-2-phenylacetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide Traditional Name: 2-[3-(1H-indazol-5-ylamino)piperidino]-2-phenyl-N-veratryl-acetamide Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(C2=CC=CC=C2)N3CCCC(C3)NC4=CC5=C(C=C4)NN=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C(C2=CC=CC=C2)N3CCCC(C3)NC4=CC5=C(C=C4)NN=C5)OC

InChI

InChI=1S/C29H33N5O3/c1-36-26-13-10-20(15-27(26)37-2)17-30-29(35)28(21-7-4-3-5-8-21)34-14-6-9-24(19-34)32-23-11-12-25-22(16-23)18-31-33-25/h3-5,7-8,10-13,15-16,18,24,28,32H,6,9,14,17,19H2,1-2H3,(H,30,35)(H,31,33)