2-[2-[(4-chlorophenyl)amino]-3-methyl-pentanoyl]-1,2-diazinane-1-carbonitrile

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-3-methyl-pentanoyl]-1,2-diazinane-1-carbonitrile Openeye Name: 2-[2-(4-chloroanilino)-3-methyl-pentanoyl]hexahydropyridazine-1-carbonitrile CAS Name: 2-[2-(4-chloroanilino)-3-methyl-1-oxopentyl]-1-diazinanecarbonitrile IUPAC Name: 2-[2-(4-chloroanilino)-3-methylpentanoyl]diazinane-1-carbonitrile Traditional Name: 2-[2-(4-chloroanilino)-3-methyl-pentanoyl]hexahydropyridazine-1-carbonitrile Formula: C17H23ClN4O MolecularWeight: 334.84372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCN1C#N)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)C(C(=O)N1CCCCN1C#N)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN4O/c1-3-13(2)16(20-15-8-6-14(18)7-9-15)17(23)22-11-5-4-10-21(22)12-19/h6-9,13,16,20H,3-5,10-11H2,1-2H3