1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-(2-oxidanylidene-1-phenethyl-azepan-3-yl)guanidine

Systemtic Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-(2-oxidanylidene-1-phenethyl-azepan-3-yl)guanidine Openeye Name: 1-cyano-3-(2-methylbenzofuran-5-yl)-2-(2-oxo-1-phenethyl-azepan-3-yl)guanidine CAS Name: 1-cyano-3-(2-methyl-5-benzofuranyl)-2-(2-oxo-1-phenethyl-3-azepanyl)guanidine IUPAC Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-(2-oxo-1-phenethylazepan-3-yl)guanidine Traditional Name: 1-cyano-2-(2-keto-1-phenethyl-azepan-3-yl)-3-(2-methylbenzofuran-5-yl)guanidine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CCC4=CC=CC=C4)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CCC4=CC=CC=C4)NC#N

InChI

InChI=1S/C25H27N5O2/c1-18-15-20-16-21(10-11-23(20)32-18)28-25(27-17-26)29-22-9-5-6-13-30(24(22)31)14-12-19-7-3-2-4-8-19/h2-4,7-8,10-11,15-16,22H,5-6,9,12-14H2,1H3,(H2,27,28,29)