(1-methylbenzimidazol-5-yl) N-(3-azanyl-3-azanylidene-propyl)-N-[3-(4-carbamimidoylphenyl)-1-quinolin-3-yl-propyl]carbamate

Systemtic Name: (1-methylbenzimidazol-5-yl) N-(3-azanyl-3-azanylidene-propyl)-N-[3-(4-carbamimidoylphenyl)-1-quinolin-3-yl-propyl]carbamate Openeye Name: (1-methylbenzimidazol-5-yl) N-(3-amino-3-imino-propyl)-N-[3-(4-carbamimidoylphenyl)-1-(3-quinolyl)propyl]carbamate CAS Name: N-(3-amino-3-iminopropyl)-N-[3-(4-carbamimidoylphenyl)-1-(3-quinolinyl)propyl]carbamic acid (1-methyl-5-benzimidazolyl) ester IUPAC Name: (1-methylbenzimidazol-5-yl) N-(3-amino-3-iminopropyl)-N-[3-(4-carbamimidoylphenyl)-1-quinolin-3-ylpropyl]carbamate Traditional Name: N-[3-(4-amidinophenyl)-1-(3-quinolyl)propyl]-N-(3-amino-3-imino-propyl)carbamic acid (1-methylbenzimidazol-5-yl) ester Formula: C31H32N8O2 MolecularWeight: 548.63818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC(=N)N)C(CCC3=CC=C(C=C3)C(=N)N)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC(=N)N)C(CCC3=CC=C(C=C3)C(=N)N)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C31H32N8O2/c1-38-19-37-26-17-24(11-13-28(26)38)41-31(40)39(15-14-29(32)33)27(12-8-20-6-9-21(10-7-20)30(34)35)23-16-22-4-2-3-5-25(22)36-18-23/h2-7,9-11,13,16-19,27H,8,12,14-15H2,1H3,(H3,32,33)(H3,34,35)