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

Systemtic Name: 2-[2-[(3-methoxyphenyl)amino]-3-methyl-pentanoyl]-1,2-diazinane-1-carbonitrile Openeye Name: 2-[2-(3-methoxyanilino)-3-methyl-pentanoyl]hexahydropyridazine-1-carbonitrile CAS Name: 2-[2-(3-methoxyanilino)-3-methyl-1-oxopentyl]-1-diazinanecarbonitrile IUPAC Name: 2-[2-(3-methoxyanilino)-3-methylpentanoyl]diazinane-1-carbonitrile Traditional Name: 2-[2-(m-anisidino)-3-methyl-pentanoyl]hexahydropyridazine-1-carbonitrile Formula: C18H26N4O2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2/c1-4-14(2)17(20-15-8-7-9-16(12-15)24-3)18(23)22-11-6-5-10-21(22)13-19/h7-9,12,14,17,20H,4-6,10-11H2,1-3H3