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

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

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

Isomeric SMILES

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

InChI

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