1-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]indole-3-carboxamide

Systemtic Name: 1-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]indole-3-carboxamide Openeye Name: 1-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]indole-3-carboxamide CAS Name: 1-methyl-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-3-indolecarboxamide IUPAC Name: 1-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]indole-3-carboxamide Traditional Name: 1-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]indole-3-carboxamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(C3=CC=CC=C32)C)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(C3=CC=CC=C32)C)N4C=NC=N4

InChI

InChI=1S/C21H20N6O2/c1-14(27-13-22-12-23-27)20(28)24-15-7-9-16(10-8-15)25-21(29)18-11-26(2)19-6-4-3-5-17(18)19/h3-14H,1-2H3,(H,24,28)(H,25,29)