N-(3-chlorophenyl)-2-(3-cyanophenyl)-5-methyl-pyrazole-3-carboxamide; morpholine-4-carbaldehyde

Systemtic Name: N-(3-chlorophenyl)-2-(3-cyanophenyl)-5-methyl-pyrazole-3-carboxamide; morpholine-4-carbaldehyde Openeye Name: N-(3-chlorophenyl)-2-(3-cyanophenyl)-5-methyl-pyrazole-3-carboxamide; morpholine-4-carbaldehyde CAS Name: N-(3-chlorophenyl)-2-(3-cyanophenyl)-5-methyl-3-pyrazolecarboxamide; 4-morpholinecarboxaldehyde IUPAC Name: N-(3-chlorophenyl)-2-(3-cyanophenyl)-5-methylpyrazole-3-carboxamide; morpholine-4-carbaldehyde Traditional Name: N-(3-chlorophenyl)-2-(3-cyanophenyl)-5-methyl-pyrazole-3-carboxamide; morpholine-4-carbaldehyde Formula: C23H22ClN5O3 MolecularWeight: 451.90548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC(=C3)C#N.C1COCCN1C=O

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC(=C3)C#N.C1COCCN1C=O

InChI

InChI=1S/C18H13ClN4O.C5H9NO2/c1-12-8-17(18(24)21-15-6-3-5-14(19)10-15)23(22-12)16-7-2-4-13(9-16)11-20;7-5-6-1-3-8-4-2-6/h2-10H,1H3,(H,21,24);5H,1-4H2