4-[[[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]-(2-ethylbutyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]-(2-ethylbutyl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(2-ethylbutyl)amino]methyl]benzonitrile CAS Name: 4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(2-ethylbutyl)amino]methyl]benzonitrile IUPAC Name: 4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(2-ethylbutyl)amino]methyl]benzonitrile Traditional Name: 4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(2-ethylbutyl)amino]methyl]benzonitrile Formula: C27H43N3 MolecularWeight: 409.65042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN(CC1=CC=C(C=C1)C#N)C2CCC(CC2)CC3CCC(CC3)N

Isomeric SMILES

CCC(CC)CN(CC1=CC=C(C=C1)C#N)C2CCC(CC2)CC3CCC(CC3)N

InChI

InChI=1S/C27H43N3/c1-3-21(4-2)19-30(20-25-7-5-24(18-28)6-8-25)27-15-11-23(12-16-27)17-22-9-13-26(29)14-10-22/h5-8,21-23,26-27H,3-4,9-17,19-20,29H2,1-2H3