4-(aminomethyl)-N-[1-(4-chloranyl-3-phenyl-phenyl)-2-phenyl-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-(4-chloranyl-3-phenyl-phenyl)-2-phenyl-ethyl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-(4-chloro-3-phenyl-phenyl)-2-phenyl-ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-(4-chloro-3-phenylphenyl)-2-phenylethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-(4-chloro-3-phenylphenyl)-2-phenylethyl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-(4-chloro-3-phenyl-phenyl)-2-phenyl-ethyl]cyclohexanecarboxamide Formula: C28H31ClN2O MolecularWeight: 447.01154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN2O/c29-26-16-15-24(18-25(26)22-9-5-2-6-10-22)27(17-20-7-3-1-4-8-20)31-28(32)23-13-11-21(19-30)12-14-23/h1-10,15-16,18,21,23,27H,11-14,17,19,30H2,(H,31,32)