N-[N-(3-methylbenzimidazol-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide

Systemtic Name: N-[N-(3-methylbenzimidazol-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide Openeye Name: N-[N-(3-methylbenzimidazol-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide CAS Name: N-[[(3-methyl-5-benzimidazolyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]benzamide IUPAC Name: N-[N-(3-methylbenzimidazol-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]benzamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(3-methylbenzimidazol-5-yl)amidino]benzamide Formula: C28H33N7O3 MolecularWeight: 515.60672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=C(C=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C=NC2=C1C=C(C=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H33N7O3/c1-33-19-29-22-13-12-21(17-24(22)33)30-28(32-26(37)20-9-3-2-4-10-20)31-23-11-5-6-16-35(27(23)38)18-25(36)34-14-7-8-15-34/h2-4,9-10,12-13,17,19,23H,5-8,11,14-16,18H2,1H3,(H2,30,31,32,37)