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

Systemtic Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(3-phenylpropyl)azepan-3-yl]guanidine Openeye Name: 1-cyano-3-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-(3-phenylpropyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-(3-phenylpropyl)-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(3-phenylpropyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-2-[2-keto-1-(3-phenylpropyl)azepan-3-yl]-3-(2-methylbenzofuran-5-yl)guanidine Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CCCC4=CC=CC=C4)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CCCC4=CC=CC=C4)NC#N

InChI

InChI=1S/C26H29N5O2/c1-19-16-21-17-22(12-13-24(21)33-19)29-26(28-18-27)30-23-11-5-6-14-31(25(23)32)15-7-10-20-8-3-2-4-9-20/h2-4,8-9,12-13,16-17,23H,5-7,10-11,14-15H2,1H3,(H2,28,29,30)