3-(4-tert-butyl-1-oxidanylidene-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)propanamide

Systemtic Name: 3-(4-tert-butyl-1-oxidanylidene-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)propanamide Openeye Name: 3-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)propanamide CAS Name: 3-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)propanamide IUPAC Name: 3-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)propanamide Traditional Name: 3-(4-tert-butyl-1-keto-5H-[1,2,5]triazepin[5,4-a]indol-2-yl)propionamide Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C2=CC3=CC=CC=C3N2C1)CCC(=O)N

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C2=CC3=CC=CC=C3N2C1)CCC(=O)N

InChI

InChI=1S/C18H22N4O2/c1-18(2,3)15-11-21-13-7-5-4-6-12(13)10-14(21)17(24)22(20-15)9-8-16(19)23/h4-7,10H,8-9,11H2,1-3H3,(H2,19,23)