N-[2-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide

Systemtic Name: N-[2-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide Openeye Name: N-[2-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: N-[2-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-2-oxoethyl]-4-butoxybenzamide IUPAC Name: N-[2-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]-2-oxoethyl]-4-butoxybenzamide Traditional Name: N-[2-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-keto-ethyl]-4-butoxy-benzamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C26H30N6O3/c1-2-3-16-35-21-13-11-19(12-14-21)26(34)30-18-24(33)29-15-7-10-23-22(17-27)25(28)32(31-23)20-8-5-4-6-9-20/h4-6,8-9,11-14H,2-3,7,10,15-16,18,28H2,1H3,(H,29,33)(H,30,34)