2-(4-oxidanylidene-3H-pyridazino[4,5-b]indol-5-yl)-N-(phenylmethyl)butanamide

Systemtic Name: 2-(4-oxidanylidene-3H-pyridazino[4,5-b]indol-5-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide CAS Name: 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide Traditional Name: N-benzyl-2-(4-keto-3H-pyridazin[4,5-b]indol-5-yl)butyramide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)N2C3=CC=CC=C3C4=C2C(=O)NN=C4

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)N2C3=CC=CC=C3C4=C2C(=O)NN=C4

InChI

InChI=1S/C21H20N4O2/c1-2-17(20(26)22-12-14-8-4-3-5-9-14)25-18-11-7-6-10-15(18)16-13-23-24-21(27)19(16)25/h3-11,13,17H,2,12H2,1H3,(H,22,26)(H,24,27)