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

Systemtic Name: 2-[3-[[(cyanoamino)-[(3-methylphenyl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-methyl-N-pyridin-4-yl-ethanamide Openeye Name: 2-[3-[[(cyanoamino)-(3-methylanilino)methylene]amino]-2-oxo-azepan-1-yl]-N-methyl-N-(4-pyridyl)acetamide CAS Name: 2-[3-[[(cyanoamino)-(3-methylanilino)methylidene]amino]-2-oxo-1-azepanyl]-N-methyl-N-pyridin-4-ylacetamide IUPAC Name: 2-[3-[[(cyanoamino)-(3-methylanilino)methylidene]amino]-2-oxoazepan-1-yl]-N-methyl-N-pyridin-4-ylacetamide Traditional Name: 2-[3-[[(cyanoamino)-(m-toluidino)methylene]amino]-2-keto-azepan-1-yl]-N-methyl-N-(4-pyridyl)acetamide Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N(C)C3=CC=NC=C3)NC#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N(C)C3=CC=NC=C3)NC#N

InChI

InChI=1S/C23H27N7O2/c1-17-6-5-7-18(14-17)27-23(26-16-24)28-20-8-3-4-13-30(22(20)32)15-21(31)29(2)19-9-11-25-12-10-19/h5-7,9-12,14,20H,3-4,8,13,15H2,1-2H3,(H2,26,27,28)