5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-ethyl-1-methyl-indazol-6-yl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-ethyl-1-methyl-indazol-6-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-ethyl-1-methyl-indazol-6-yl)-2-isopropyl-pentanenitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(3-ethyl-1-methyl-6-indazolyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(3-ethyl-1-methylindazol-6-yl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3-ethyl-1-methyl-indazol-6-yl)-5-[homoveratryl(methyl)amino]-2-isopropyl-valeronitrile Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C(CCCN(C)CCC3=CC(=C(C=C3)OC)OC)(C#N)C(C)C)C

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C(CCCN(C)CCC3=CC(=C(C=C3)OC)OC)(C#N)C(C)C)C

InChI

InChI=1S/C29H40N4O2/c1-8-25-24-12-11-23(19-26(24)33(5)31-25)29(20-30,21(2)3)15-9-16-32(4)17-14-22-10-13-27(34-6)28(18-22)35-7/h10-13,18-19,21H,8-9,14-17H2,1-7H3