4-(aminomethyl)-N-[1-[3-(6-azanylpyridin-3-yl)phenyl]-2-phenyl-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-[3-(6-azanylpyridin-3-yl)phenyl]-2-phenyl-ethyl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[3-(6-amino-3-pyridyl)phenyl]-2-phenyl-ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-[3-(6-amino-3-pyridinyl)phenyl]-2-phenylethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-[3-(6-aminopyridin-3-yl)phenyl]-2-phenylethyl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-[3-(6-amino-3-pyridyl)phenyl]-2-phenyl-ethyl]cyclohexanecarboxamide Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c28-17-20-9-11-21(12-10-20)27(32)31-25(15-19-5-2-1-3-6-19)23-8-4-7-22(16-23)24-13-14-26(29)30-18-24/h1-8,13-14,16,18,20-21,25H,9-12,15,17,28H2,(H2,29,30)(H,31,32)