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

Systemtic Name: 6-azanyl-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-heptanenitrile Openeye Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-isopropyl-heptanenitrile CAS Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylheptanenitrile IUPAC Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylheptanenitrile Traditional Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-2-isopropyl-enanthonitrile Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-17(2)25(16-26,18-11-12-20(28-3)23(14-18)29-4)13-7-8-19(27)15-24-30-21-9-5-6-10-22(21)31-24/h5-6,9-12,14,17,19,24H,7-8,13,15,27H2,1-4H3