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

Systemtic Name: 1-(3-azanyl-2-methyl-1-benzofuran-5-yl)-3-isocyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(3-amino-2-methyl-benzofuran-5-yl)-3-isocyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(3-amino-2-methyl-5-benzofuranyl)-3-isocyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(3-amino-2-methyl-1-benzofuran-5-yl)-3-isocyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(3-amino-2-methyl-benzofuran-5-yl)-3-isocyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)N[N+]#[C-])N

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)N[N+]#[C-])N

InChI

InChI=1S/C23H29N7O3/c1-15-21(24)17-13-16(8-9-19(17)33-15)26-23(28-25-2)27-18-7-3-4-12-30(22(18)32)14-20(31)29-10-5-6-11-29/h8-9,13,18H,3-7,10-12,14,24H2,1H3,(H2,26,27,28)