5-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[3-[4-(2-fluorobenzyl)piperazino]-3-keto-propyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)CC3=CC=CC=C3F)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)CC3=CC=CC=C3F)C)C#N

InChI

InChI=1S/C22H25FN4O2/c1-15-18(16(2)25-22(29)19(15)13-24)7-8-21(28)27-11-9-26(10-12-27)14-17-5-3-4-6-20(17)23/h3-6H,7-12,14H2,1-2H3,(H,25,29)