N-(2-cyanoethyl)-4-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]butanamide

Systemtic Name: N-(2-cyanoethyl)-4-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]butanamide Openeye Name: N-(2-cyanoethyl)-4-(3-methyl-1,4-dioxo-2-naphthyl)butanamide CAS Name: N-(2-cyanoethyl)-4-(3-methyl-1,4-dioxo-2-naphthalenyl)butanamide IUPAC Name: N-(2-cyanoethyl)-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanamide Traditional Name: N-(2-cyanoethyl)-4-(1,4-diketo-3-methyl-2-naphthyl)butyramide Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CCCC(=O)NCCC#N

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CCCC(=O)NCCC#N

InChI

InChI=1S/C18H18N2O3/c1-12-13(8-4-9-16(21)20-11-5-10-19)18(23)15-7-3-2-6-14(15)17(12)22/h2-3,6-7H,4-5,8-9,11H2,1H3,(H,20,21)