N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(4-morpholino-1-piperidyl)phenyl]-5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-5-methyl-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(4-morpholinopiperidino)phenyl]-5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C27H29N7O4 MolecularWeight: 515.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N

InChI

InChI=1S/C27H29N7O4/c1-19-25(18-29-33(19)23-3-5-24(6-4-23)34(36)37)27(35)30-21-2-7-26(20(16-21)17-28)32-10-8-22(9-11-32)31-12-14-38-15-13-31/h2-7,16,18,22H,8-15H2,1H3,(H,30,35)