N-butan-2-yl-1,3-bis(oxidanylidene)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxamide

Systemtic Name: N-butan-2-yl-1,3-bis(oxidanylidene)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Openeye Name: 1,3-dioxo-N-sec-butyl-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide CAS Name: N-butan-2-yl-1,3-dioxo-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-isoindolecarboxamide IUPAC Name: N-butan-2-yl-1,3-dioxo-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-N-sec-butyl-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H21N5O3/c1-3-14(2)25-20(28)16-6-9-18-19(10-16)22(30)27(21(18)29)17-7-4-15(5-8-17)11-26-13-23-12-24-26/h4-10,12-14H,3,11H2,1-2H3,(H,25,28)