4-(aminomethyl)-N-[1-[2-(2-azanylpyridin-4-yl)pyridin-4-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-[2-(2-azanylpyridin-4-yl)pyridin-4-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[2-(2-amino-4-pyridyl)-4-pyridyl]-2-phenyl-ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-[2-(2-amino-4-pyridinyl)-4-pyridinyl]-2-phenylethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-[2-(2-aminopyridin-4-yl)pyridin-4-yl]-2-phenylethyl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-[2-(2-amino-4-pyridyl)-4-pyridyl]-2-phenyl-ethyl]cyclohexanecarboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=CC(=NC=C3)C4=CC(=NC=C4)N

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=CC(=NC=C3)C4=CC(=NC=C4)N

InChI

InChI=1S/C26H31N5O/c27-17-19-6-8-20(9-7-19)26(32)31-24(14-18-4-2-1-3-5-18)21-10-12-29-23(15-21)22-11-13-30-25(28)16-22/h1-5,10-13,15-16,19-20,24H,6-9,14,17,27H2,(H2,28,30)(H,31,32)