N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-3-methyl-1-phenethyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-3-methyl-1-phenethyl-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(4-morpholino-1-piperidyl)phenyl]-3-methyl-1-phenethyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-3-methyl-1-phenethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-3-methyl-1-phenethylpyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(4-morpholinopiperidino)phenyl]-3-methyl-1-phenethyl-pyrazole-4-carboxamide Formula: C29H34N6O2 MolecularWeight: 498.61926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCOCC4)C#N)CCC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCOCC4)C#N)CCC5=CC=CC=C5

InChI

InChI=1S/C29H34N6O2/c1-22-27(21-35(32-22)14-9-23-5-3-2-4-6-23)29(36)31-25-7-8-28(24(19-25)20-30)34-12-10-26(11-13-34)33-15-17-37-18-16-33/h2-8,19,21,26H,9-18H2,1H3,(H,31,36)