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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N6O3/c1-18-7-8-21(12-19(18)2)15-30-26(35)16-34-11-5-4-6-24(27(34)36)33-28(31-17-29)32-23-9-10-25-22(14-23)13-20(3)37-25/h7-10,12-14,24H,4-6,11,15-16H2,1-3H3,(H,30,35)(H2,31,32,33)