2-butyl-N-methyl-1,3-bis(oxidanylidene)-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-methyl-1,3-bis(oxidanylidene)-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]isoindole-5-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-butyl-N-methyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-methyl-1,3-dioxo-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-5-isoindolecarboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-butyl-1,3-diketo-N-methyl-isoindoline-5-carboxamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-3-4-12-29-24(31)21-11-10-20(13-22(21)25(29)32)23(30)27(2)15-19-14-26-28(17-19)16-18-8-6-5-7-9-18/h5-11,13-14,17H,3-4,12,15-16H2,1-2H3