N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-butoxy-3-methoxy-benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-butoxy-3-methoxy-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-butoxy-3-methoxy-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-butoxy-3-methoxybenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-butoxy-3-methoxybenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-butoxy-3-methoxy-benzamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3/c1-3-4-15-33-22-13-12-18(16-23(22)32-2)25(31)28-14-8-11-21-20(17-26)24(27)30(29-21)19-9-6-5-7-10-19/h5-7,9-10,12-13,16H,3-4,8,11,14-15,27H2,1-2H3,(H,28,31)