3-indazol-1-yl-N-[(2S)-1-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butan-2-yl]propanamide

Systemtic Name: 3-indazol-1-yl-N-[(2S)-1-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butan-2-yl]propanamide Openeye Name: 3-indazol-1-yl-N-[(1S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]propanamide CAS Name: 3-(1-indazolyl)-N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]propanamide IUPAC Name: 3-indazol-1-yl-N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]propanamide Traditional Name: 3-indazol-1-yl-N-[(1S)-1-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]propyl]propionamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C2=CC=CC=C2N=N1)NC(=O)CCN3C4=CC=CC=C4C=N3

Isomeric SMILES

CC[C@@H](CN1C(=O)C2=CC=CC=C2N=N1)NC(=O)CCN3C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H22N6O2/c1-2-16(14-27-21(29)17-8-4-5-9-18(17)24-25-27)23-20(28)11-12-26-19-10-6-3-7-15(19)13-22-26/h3-10,13,16H,2,11-12,14H2,1H3,(H,23,28)/t16-/m0/s1