1-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-pyridin-2-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-2-yl-guanidine Openeye Name: 1-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(2-pyridyl)guanidine CAS Name: 1-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-(2-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-2-ylguanidine Traditional Name: 2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-1-(2-methylbenzofuran-5-yl)-3-(2-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=CC=N5

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC5=CC=CC=N5

InChI

InChI=1S/C27H32N6O3/c1-19-16-20-17-21(10-11-23(20)36-19)29-27(31-24-9-2-4-12-28-24)30-22-8-3-5-15-33(26(22)35)18-25(34)32-13-6-7-14-32/h2,4,9-12,16-17,22H,3,5-8,13-15,18H2,1H3,(H2,28,29,30,31)