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

Systemtic Name: 1-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-pyridin-4-yl-guanidine Openeye Name: 1-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(4-pyridyl)guanidine CAS Name: 1-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-pyridin-4-ylguanidine IUPAC Name: 1-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-pyridin-4-ylguanidine Traditional Name: 2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-1-(2-methylbenzofuran-5-yl)-3-(4-pyridyl)guanidine Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC5=CC=NC=C5

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC5=CC=NC=C5

InChI

InChI=1S/C27H32N6O3/c1-19-16-20-17-22(7-8-24(20)36-19)30-27(29-21-9-11-28-12-10-21)31-23-6-2-3-15-33(26(23)35)18-25(34)32-13-4-5-14-32/h7-12,16-17,23H,2-6,13-15,18H2,1H3,(H2,28,29,30,31)