1-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-pyridin-3-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-3-yl-guanidine Openeye Name: 1-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(3-pyridyl)guanidine CAS Name: 1-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-(3-pyridinyl)guanidine IUPAC Name: 1-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-pyridin-3-ylguanidine Traditional Name: 2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-1-(2-methylbenzofuran-5-yl)-3-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O3/c1-19-15-20-16-21(9-10-24(20)36-19)29-27(30-22-7-6-11-28-17-22)31-23-8-2-3-14-33(26(23)35)18-25(34)32-12-4-5-13-32/h6-7,9-11,15-17,23H,2-5,8,12-14,18H2,1H3,(H2,29,30,31)