N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C25H22ClN5O2 MolecularWeight: 459.92748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H22ClN5O2/c1-17-21(26)10-5-11-22(17)29-23(32)14-28-25(33)20-16-31(15-18-7-3-2-4-8-18)30-24(20)19-9-6-12-27-13-19/h2-13,16H,14-15H2,1H3,(H,28,33)(H,29,32)