1-(4-chlorophenyl)-N-[3-cyano-4-(2-methoxyethyl)phenyl]-5-methyl-pyrazole-4-carboxamide; N-methylpiperidin-1-amine

Systemtic Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(2-methoxyethyl)phenyl]-5-methyl-pyrazole-4-carboxamide; N-methylpiperidin-1-amine Openeye Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(2-methoxyethyl)phenyl]-5-methyl-pyrazole-4-carboxamide; N-methylpiperidin-1-amine CAS Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(2-methoxyethyl)phenyl]-5-methyl-4-pyrazolecarboxamide; N-methyl-1-piperidinamine IUPAC Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(2-methoxyethyl)phenyl]-5-methylpyrazole-4-carboxamide; N-methylpiperidin-1-amine Traditional Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(2-methoxyethyl)phenyl]-5-methyl-pyrazole-4-carboxamide; methyl(piperidino)amine Formula: C27H33ClN6O2 MolecularWeight: 509.04292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)CCOC)C#N.CNN1CCCCC1

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)CCOC)C#N.CNN1CCCCC1

InChI

InChI=1S/C21H19ClN4O2.C6H14N2/c1-14-20(13-24-26(14)19-7-4-17(22)5-8-19)21(27)25-18-6-3-15(9-10-28-2)16(11-18)12-23;1-7-8-5-3-2-4-6-8/h3-8,11,13H,9-10H2,1-2H3,(H,25,27);7H,2-6H2,1H3