6-azanyl-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-pentan-3-yl-heptanenitrile

Systemtic Name: 6-azanyl-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-pentan-3-yl-heptanenitrile Openeye Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)heptanenitrile CAS Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-pentan-3-ylheptanenitrile IUPAC Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-pentan-3-ylheptanenitrile Traditional Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)enanthonitrile Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-5-19(6-2)27(18-28,20-13-14-22(30-3)25(16-20)31-4)15-9-10-21(29)17-26-32-23-11-7-8-12-24(23)33-26/h7-8,11-14,16,19,21,26H,5-6,9-10,15,17,29H2,1-4H3