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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-hexoxy-3-methoxy-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-hexoxy-3-methoxy-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-hexoxy-3-methoxybenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-hexoxy-3-methoxybenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-hexoxy-3-methoxy-benzamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)OC

InChI

InChI=1S/C27H33N5O3/c1-3-4-5-9-17-35-24-15-14-20(18-25(24)34-2)27(33)30-16-10-13-23-22(19-28)26(29)32(31-23)21-11-7-6-8-12-21/h6-8,11-12,14-15,18H,3-5,9-10,13,16-17,29H2,1-2H3,(H,30,33)