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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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