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

Systemtic Name: 2-cyclohexyl-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-cyclohexyl-N-methyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-cyclohexyl-N-methyl-1,3-dioxo-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-5-isoindolecarboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-cyclohexyl-1,3-diketo-N-methyl-isoindoline-5-carboxamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

InChI

InChI=1S/C27H28N4O3/c1-29(16-20-15-28-30(18-20)17-19-8-4-2-5-9-19)25(32)21-12-13-23-24(14-21)27(34)31(26(23)33)22-10-6-3-7-11-22/h2,4-5,8-9,12-15,18,22H,3,6-7,10-11,16-17H2,1H3