1-(2-methyl-1-benzofuran-5-yl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-2-(pyridin-4-ylmethyl)guanidine

Systemtic Name: 1-(2-methyl-1-benzofuran-5-yl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-2-(pyridin-4-ylmethyl)guanidine Openeye Name: 1-(2-methylbenzofuran-5-yl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-2-(4-pyridylmethyl)guanidine CAS Name: 1-(2-methyl-5-benzofuranyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-2-(pyridin-4-ylmethyl)guanidine IUPAC Name: 1-(2-methyl-1-benzofuran-5-yl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-2-(pyridin-4-ylmethyl)guanidine Traditional Name: 1-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(2-methylbenzofuran-5-yl)-2-(4-pyridylmethyl)guanidine Formula: C28H34N6O3 MolecularWeight: 502.60796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NCC3=CC=NC=C3)NC4CCCCN(C4=O)CC(=O)N5CCCC5

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NCC3=CC=NC=C3)NC4CCCCN(C4=O)CC(=O)N5CCCC5

InChI

InChI=1S/C28H34N6O3/c1-20-16-22-17-23(7-8-25(22)37-20)31-28(30-18-21-9-11-29-12-10-21)32-24-6-2-3-15-34(27(24)36)19-26(35)33-13-4-5-14-33/h7-12,16-17,24H,2-6,13-15,18-19H2,1H3,(H2,30,31,32)