1,5-dimethyl-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyrazole-3-carboxamide

Systemtic Name: 1,5-dimethyl-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]pyrazole-3-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C28H35N7O4 MolecularWeight: 533.622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC4=CC5=C(C=C4)OC(=C5)C

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC4=CC5=C(C=C4)OC(=C5)C

InChI

InChI=1S/C28H35N7O4/c1-18-14-23(32-33(18)3)26(37)31-28(29-21-9-10-24-20(16-21)15-19(2)39-24)30-22-8-4-5-13-35(27(22)38)17-25(36)34-11-6-7-12-34/h9-10,14-16,22H,4-8,11-13,17H2,1-3H3,(H2,29,30,31,37)