1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(piperazin-1-ylcarbonylamino)-2-propan-2-yl-benzimidazole-4-carboxylic acid

Systemtic Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(piperazin-1-ylcarbonylamino)-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-2-isopropyl-6-(piperazine-1-carbonylamino)benzimidazole-4-carboxylic acid CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[oxo(1-piperazinyl)methyl]amino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(piperazine-1-carbonylamino)-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 1-[(7-amidino-2-naphthyl)methyl]-2-isopropyl-6-(piperazine-1-carbonylamino)benzimidazole-4-carboxylic acid Formula: C28H31N7O3 MolecularWeight: 513.59084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2C(=O)O)NC(=O)N5CCNCC5

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2C(=O)O)NC(=O)N5CCNCC5

InChI

InChI=1S/C28H31N7O3/c1-16(2)26-33-24-22(27(36)37)13-21(32-28(38)34-9-7-31-8-10-34)14-23(24)35(26)15-17-3-4-18-5-6-19(25(29)30)12-20(18)11-17/h3-6,11-14,16,31H,7-10,15H2,1-2H3,(H3,29,30)(H,32,38)(H,36,37)