N-[1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonylpiperidin-4-yl]-2-chloranyl-benzamide

Systemtic Name: N-[1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonylpiperidin-4-yl]-2-chloranyl-benzamide Openeye Name: N-[1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-4-piperidyl]-2-chloro-benzamide CAS Name: N-[1-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-4-piperidinyl]-2-chlorobenzamide IUPAC Name: N-[1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]piperidin-4-yl]-2-chlorobenzamide Traditional Name: N-[1-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-4-piperidyl]-2-chloro-benzamide Formula: C30H31ClN6O2 MolecularWeight: 543.05914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4Cl)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4Cl)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H31ClN6O2/c1-36-26-12-11-21(18-25(26)35-27(36)13-8-19-6-9-20(10-7-19)28(32)33)30(39)37-16-14-22(15-17-37)34-29(38)23-4-2-3-5-24(23)31/h2-7,9-12,18,22H,8,13-17H2,1H3,(H3,32,33)(H,34,38)