N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(3,4-dichlorophenyl)pyrrole-3-carboxamide

Systemtic Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(3,4-dichlorophenyl)pyrrole-3-carboxamide Openeye Name: N-[3-cyano-4-(4-morpholino-1-piperidyl)phenyl]-1-(3,4-dichlorophenyl)pyrrole-3-carboxamide CAS Name: N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-1-(3,4-dichlorophenyl)-3-pyrrolecarboxamide IUPAC Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(3,4-dichlorophenyl)pyrrole-3-carboxamide Traditional Name: N-[3-cyano-4-(4-morpholinopiperidino)phenyl]-1-(3,4-dichlorophenyl)pyrrole-3-carboxamide Formula: C27H27Cl2N5O2 MolecularWeight: 524.44158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCOCC2)C3=C(C=C(C=C3)NC(=O)C4=CN(C=C4)C5=CC(=C(C=C5)Cl)Cl)C#N

Isomeric SMILES

C1CN(CCC1N2CCOCC2)C3=C(C=C(C=C3)NC(=O)C4=CN(C=C4)C5=CC(=C(C=C5)Cl)Cl)C#N

InChI

InChI=1S/C27H27Cl2N5O2/c28-24-3-2-23(16-25(24)29)34-8-5-19(18-34)27(35)31-21-1-4-26(20(15-21)17-30)33-9-6-22(7-10-33)32-11-13-36-14-12-32/h1-5,8,15-16,18,22H,6-7,9-14H2,(H,31,35)