4-[[4-[(4-tert-butylphenyl)methyl-(pyridin-4-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine

Systemtic Name: 4-[[4-[(4-tert-butylphenyl)methyl-(pyridin-4-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: 4-[[4-[(4-tert-butylphenyl)methyl-(4-pyridylmethyl)amino]cyclohexyl]methyl]cyclohexanamine CAS Name: 4-[[4-[(4-tert-butylphenyl)methyl-(pyridin-4-ylmethyl)amino]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: 4-[[4-[(4-tert-butylphenyl)methyl-(pyridin-4-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(4-tert-butylbenzyl)-(4-pyridylmethyl)amine Formula: C30H45N3 MolecularWeight: 447.6984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=NC=C2)C3CCC(CC3)CC4CCC(CC4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=NC=C2)C3CCC(CC3)CC4CCC(CC4)N

InChI

InChI=1S/C30H45N3/c1-30(2,3)27-10-4-25(5-11-27)21-33(22-26-16-18-32-19-17-26)29-14-8-24(9-15-29)20-23-6-12-28(31)13-7-23/h4-5,10-11,16-19,23-24,28-29H,6-9,12-15,20-22,31H2,1-3H3