1,3-bis(oxidanylidene)-2-phenethyl-N-(3-pyrazol-1-ylpropyl)isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-2-phenethyl-N-(3-pyrazol-1-ylpropyl)isoindole-5-carboxamide Openeye Name: 1,3-dioxo-2-phenethyl-N-(3-pyrazol-1-ylpropyl)isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-phenethyl-N-[3-(1-pyrazolyl)propyl]-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-2-phenethyl-N-(3-pyrazol-1-ylpropyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-phenethyl-N-(3-pyrazol-1-ylpropyl)isoindoline-5-carboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CC=N4

InChI

InChI=1S/C23H22N4O3/c28-21(24-11-4-13-26-14-5-12-25-26)18-8-9-19-20(16-18)23(30)27(22(19)29)15-10-17-6-2-1-3-7-17/h1-3,5-9,12,14,16H,4,10-11,13,15H2,(H,24,28)