1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]guanidine Openeye Name: 2-(1-benzyl-2-oxo-azepan-3-yl)-1-cyano-3-(2-methylbenzofuran-5-yl)guanidine CAS Name: 1-cyano-3-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-(phenylmethyl)-3-azepanyl]guanidine IUPAC Name: 2-(1-benzyl-2-oxoazepan-3-yl)-1-cyano-3-(2-methyl-1-benzofuran-5-yl)guanidine Traditional Name: 2-(1-benzyl-2-keto-azepan-3-yl)-1-cyano-3-(2-methylbenzofuran-5-yl)guanidine Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC4=CC=CC=C4)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC4=CC=CC=C4)NC#N

InChI

InChI=1S/C24H25N5O2/c1-17-13-19-14-20(10-11-22(19)31-17)27-24(26-16-25)28-21-9-5-6-12-29(23(21)30)15-18-7-3-2-4-8-18/h2-4,7-8,10-11,13-14,21H,5-6,9,12,15H2,1H3,(H2,26,27,28)