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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C=C(C=CC2=N1)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C=C2C=C(C=CC2=N1)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CC=CC=C5

InChI

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