methyl 2-[2-(cyanoamino)-5-oxidanylidene-1-(phenylmethyl)-4H-imidazol-4-yl]pentanoate

Systemtic Name: methyl 2-[2-(cyanoamino)-5-oxidanylidene-1-(phenylmethyl)-4H-imidazol-4-yl]pentanoate Openeye Name: methyl 2-[1-benzyl-2-(cyanoamino)-5-oxo-4H-imidazol-4-yl]pentanoate CAS Name: 2-[2-(cyanoamino)-5-oxo-1-(phenylmethyl)-4H-imidazol-4-yl]pentanoic acid methyl ester IUPAC Name: methyl 2-[1-benzyl-2-(cyanoamino)-5-oxo-4H-imidazol-4-yl]pentanoate Traditional Name: 2-[1-benzyl-2-(cyanoamino)-5-keto-2-imidazolin-4-yl]valeric acid methyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1C(=O)N(C(=N1)NC#N)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCC(C1C(=O)N(C(=N1)NC#N)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H20N4O3/c1-3-7-13(16(23)24-2)14-15(22)21(17(20-14)19-11-18)10-12-8-5-4-6-9-12/h4-6,8-9,13-14H,3,7,10H2,1-2H3,(H,19,20)