1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-3-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)urea

Systemtic Name: 1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-3-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)urea Openeye Name: 1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-3-(1-naphthyl)-1-(1-naphthylmethyl)urea CAS Name: 1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-3-(1-naphthalenyl)-1-(1-naphthalenylmethyl)urea IUPAC Name: 1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-3-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)urea Traditional Name: 1-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-3-(1-naphthyl)-1-(1-naphthylmethyl)urea Formula: C39H34N6O MolecularWeight: 602.72686

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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)NC5=CC=CC6=CC=CC=C65)N=C1CCC7=CC=C(C=C7)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC6=CC=CC=C65)N=C1CCC7=CC=C(C=C7)C(=N)N

InChI

InChI=1S/C39H34N6O/c1-44-36-22-21-31(24-35(36)42-37(44)23-18-26-16-19-29(20-17-26)38(40)41)45(25-30-12-6-10-27-8-2-4-13-32(27)30)39(46)43-34-15-7-11-28-9-3-5-14-33(28)34/h2-17,19-22,24H,18,23,25H2,1H3,(H3,40,41)(H,43,46)