1,3-bis(oxidanylidene)-N-[(2S)-2-phenylbutyl]-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-N-[(2S)-2-phenylbutyl]-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide Openeye Name: 1,3-dioxo-N-[(2S)-2-phenylbutyl]-2-(4-pyridylmethyl)isoindoline-5-carboxamide CAS Name: 1,3-dioxo-N-[(2S)-2-phenylbutyl]-2-(pyridin-4-ylmethyl)-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-N-[(2S)-2-phenylbutyl]-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-N-[(2S)-2-phenylbutyl]-2-(4-pyridylmethyl)isoindoline-5-carboxamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](CNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c1-2-18(19-6-4-3-5-7-19)15-27-23(29)20-8-9-21-22(14-20)25(31)28(24(21)30)16-17-10-12-26-13-11-17/h3-14,18H,2,15-16H2,1H3,(H,27,29)/t18-/m1/s1