N-[2-oxidanylidene-2-(propylamino)ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(propylamino)ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-oxo-2-(propylamino)ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[2-oxo-2-(propylamino)ethyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-oxo-2-(propylamino)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-keto-2-(propylamino)ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CNC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-2-10-23-19(27)13-24-21(28)18-15-26(14-16-7-4-3-5-8-16)25-20(18)17-9-6-11-22-12-17/h3-9,11-12,15H,2,10,13-14H2,1H3,(H,23,27)(H,24,28)