(3S)-3-(iminomethyl)-4-methyl-2,6-bis(oxidanylidene)-1-phenethyl-3H-pyridine-5-carbonitrile

Systemtic Name: (3S)-3-(iminomethyl)-4-methyl-2,6-bis(oxidanylidene)-1-phenethyl-3H-pyridine-5-carbonitrile Openeye Name: (3S)-3-methanimidoyl-4-methyl-2,6-dioxo-1-phenethyl-3H-pyridine-5-carbonitrile CAS Name: (3S)-3-methanimidoyl-4-methyl-2,6-dioxo-1-phenethyl-3H-pyridine-5-carbonitrile IUPAC Name: (3S)-3-methanimidoyl-4-methyl-2,6-dioxo-1-phenethyl-3H-pyridine-5-carbonitrile Traditional Name: (3S)-3-formimidoyl-2,6-diketo-4-methyl-1-phenethyl-3H-pyridine-5-carbonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1C=N)CCC2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=O)[C@@H]1C=N)CCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H15N3O2/c1-11-13(9-17)15(20)19(16(21)14(11)10-18)8-7-12-5-3-2-4-6-12/h2-6,9,13,17H,7-8H2,1H3/t13-/m1/s1