2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-[2-(4-methylphenyl)ethyl]ethanamide

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-[2-(4-methylphenyl)ethyl]ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-[2-(p-tolyl)ethyl]acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-[2-(4-methylphenyl)ethyl]acetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-[2-(4-methylphenyl)ethyl]acetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-[2-(p-tolyl)ethyl]acetamide Formula: C28H32N6O3 MolecularWeight: 500.59208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)CN2CCCCC(C2=O)N=C(NC#N)NC3=CC4=C(C=C3)OC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)CN2CCCCC(C2=O)N=C(NC#N)NC3=CC4=C(C=C3)OC(=C4)C

InChI

InChI=1S/C28H32N6O3/c1-19-6-8-21(9-7-19)12-13-30-26(35)17-34-14-4-3-5-24(27(34)36)33-28(31-18-29)32-23-10-11-25-22(16-23)15-20(2)37-25/h6-11,15-16,24H,3-5,12-14,17H2,1-2H3,(H,30,35)(H2,31,32,33)