1-(4-cyanophenyl)-7-oxidanylidene-N-phenyl-3-piperazin-1-ylcarbonyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide

Systemtic Name: 1-(4-cyanophenyl)-7-oxidanylidene-N-phenyl-3-piperazin-1-ylcarbonyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Openeye Name: 1-(4-cyanophenyl)-7-oxo-N-phenyl-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide CAS Name: 1-(4-cyanophenyl)-7-oxo-3-[oxo(1-piperazinyl)methyl]-N-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide IUPAC Name: 1-(4-cyanophenyl)-7-oxo-N-phenyl-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Traditional Name: 1-(4-cyanophenyl)-7-keto-N-phenyl-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(N(C2C(=O)N3CCNCC3)C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)C#N)C(=O)C1

Isomeric SMILES

C1CC2C(C(N(C2C(=O)N3CCNCC3)C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)C#N)C(=O)C1

InChI

InChI=1S/C27H29N5O3/c28-17-18-9-11-19(12-10-18)24-23-21(7-4-8-22(23)33)25(26(34)31-15-13-29-14-16-31)32(24)27(35)30-20-5-2-1-3-6-20/h1-3,5-6,9-12,21,23-25,29H,4,7-8,13-16H2,(H,30,35)