N-[2-[2-[4-(aminomethyl)phenyl]ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(naphthalen-2-ylamino)piperidin-1-yl]-N-(naphthalen-1-ylmethyl)ethanamide

Systemtic Name: N-[2-[2-[4-(aminomethyl)phenyl]ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(naphthalen-2-ylamino)piperidin-1-yl]-N-(naphthalen-1-ylmethyl)ethanamide Openeye Name: N-[2-[2-[4-(aminomethyl)phenyl]ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-naphthylamino)-1-piperidyl]-N-(1-naphthylmethyl)acetamide CAS Name: N-[2-[2-[4-(aminomethyl)phenyl]ethyl]-1-methyl-5-benzimidazolyl]-2-[4-(2-naphthalenylamino)-1-piperidinyl]-N-(1-naphthalenylmethyl)acetamide IUPAC Name: N-[2-[2-[4-(aminomethyl)phenyl]ethyl]-1-methylbenzimidazol-5-yl]-2-[4-(naphthalen-2-ylamino)piperidin-1-yl]-N-(naphthalen-1-ylmethyl)acetamide Traditional Name: N-[2-[2-[4-(aminomethyl)phenyl]ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-naphthylamino)piperidino]-N-(1-naphthylmethyl)acetamide Formula: C45H46N6O MolecularWeight: 686.88634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC3=CC=CC4=CC=CC=C43)C(=O)CN5CCC(CC5)NC6=CC7=CC=CC=C7C=C6)N=C1CCC8=CC=C(C=C8)CN

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC3=CC=CC4=CC=CC=C43)C(=O)CN5CCC(CC5)NC6=CC7=CC=CC=C7C=C6)N=C1CCC8=CC=C(C=C8)CN

InChI

InChI=1S/C45H46N6O/c1-49-43-21-20-40(28-42(43)48-44(49)22-17-32-13-15-33(29-46)16-14-32)51(30-37-11-6-10-35-8-4-5-12-41(35)37)45(52)31-50-25-23-38(24-26-50)47-39-19-18-34-7-2-3-9-36(34)27-39/h2-16,18-21,27-28,38,47H,17,22-26,29-31,46H2,1H3