3-(4-chlorophenyl)-N-(4-morpholin-4-ylpiperidin-1-yl)-3-(1H-pyrrol-3-ylcarbonylamino)cyclohexa-1,5-diene-1-carbonitrilium

Systemtic Name: 3-(4-chlorophenyl)-N-(4-morpholin-4-ylpiperidin-1-yl)-3-(1H-pyrrol-3-ylcarbonylamino)cyclohexa-1,5-diene-1-carbonitrilium Openeye Name: 3-(4-chlorophenyl)-N-(4-morpholino-1-piperidyl)-3-(1H-pyrrole-3-carbonylamino)cyclohexa-1,5-diene-1-carbonitrilium CAS Name: 3-(4-chlorophenyl)-N-[4-(4-morpholinyl)-1-piperidinyl]-3-[[oxo(1H-pyrrol-3-yl)methyl]amino]-1-cyclohexa-1,5-dienecarbonitrilium IUPAC Name: 3-(4-chlorophenyl)-N-(4-morpholin-4-ylpiperidin-1-yl)-3-(1H-pyrrole-3-carbonylamino)cyclohexa-1,5-diene-1-carbonitrilium Traditional Name: 3-(4-chlorophenyl)-N-(4-morpholinopiperidino)-3-(1H-pyrrole-3-carbonylamino)cyclohexa-1,5-diene-1-carbonitrilium Formula: C27H31ClN5O2+ MolecularWeight: 493.02034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCOCC2)[N+]#CC3=CC(CC=C3)(C4=CC=C(C=C4)Cl)NC(=O)C5=CNC=C5

Isomeric SMILES

C1CN(CCC1N2CCOCC2)[N+]#CC3=CC(CC=C3)(C4=CC=C(C=C4)Cl)NC(=O)C5=CNC=C5

InChI

InChI=1S/C27H30ClN5O2/c28-24-5-3-23(4-6-24)27(31-26(34)22-7-11-29-20-22)10-1-2-21(18-27)19-30-33-12-8-25(9-13-33)32-14-16-35-17-15-32/h1-7,11,18,20,25H,8-10,12-17H2,(H-,29,31,34)/p+1