N'-(4-methylphenyl)carbonyl-1-pteridin-4-yl-piperidine-4-carbohydrazide

Systemtic Name: N'-(4-methylphenyl)carbonyl-1-pteridin-4-yl-piperidine-4-carbohydrazide Openeye Name: N'-(4-methylbenzoyl)-1-pteridin-4-yl-piperidine-4-carbohydrazide CAS Name: N'-[(4-methylphenyl)-oxomethyl]-1-(4-pteridinyl)-4-piperidinecarbohydrazide IUPAC Name: N'-(4-methylbenzoyl)-1-pteridin-4-ylpiperidine-4-carbohydrazide Traditional Name: 1-pteridin-4-yl-N'-p-toluoyl-isonipecotohydrazide Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)C3=NC=NC4=NC=CN=C43

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)C3=NC=NC4=NC=CN=C43

InChI

InChI=1S/C20H21N7O2/c1-13-2-4-14(5-3-13)19(28)25-26-20(29)15-6-10-27(11-7-15)18-16-17(23-12-24-18)22-9-8-21-16/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,25,28)(H,26,29)