6-azanyl-7-(1,3-benzodioxol-2-yl)-2-methyl-2-(2,3,4-trimethoxyphenyl)heptanenitrile

Systemtic Name: 6-azanyl-7-(1,3-benzodioxol-2-yl)-2-methyl-2-(2,3,4-trimethoxyphenyl)heptanenitrile Openeye Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-methyl-2-(2,3,4-trimethoxyphenyl)heptanenitrile CAS Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-methyl-2-(2,3,4-trimethoxyphenyl)heptanenitrile IUPAC Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-methyl-2-(2,3,4-trimethoxyphenyl)heptanenitrile Traditional Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-methyl-2-(2,3,4-trimethoxyphenyl)enanthonitrile Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(CC1OC2=CC=CC=C2O1)N)(C#N)C3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC(CCCC(CC1OC2=CC=CC=C2O1)N)(C#N)C3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C24H30N2O5/c1-24(15-25,17-11-12-20(27-2)23(29-4)22(17)28-3)13-7-8-16(26)14-21-30-18-9-5-6-10-19(18)31-21/h5-6,9-12,16,21H,7-8,13-14,26H2,1-4H3