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

Systemtic Name: 2-(4-oxidanylidene-3H-pyridazino[4,5-b]indol-5-yl)-N-phenethyl-propanamide Openeye Name: 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-phenethyl-propanamide CAS Name: 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-phenethylpropanamide IUPAC Name: 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-phenethylpropanamide Traditional Name: 2-(4-keto-3H-pyridazin[4,5-b]indol-5-yl)-N-phenethyl-propionamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)N2C3=CC=CC=C3C4=C2C(=O)NN=C4

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)N2C3=CC=CC=C3C4=C2C(=O)NN=C4

InChI

InChI=1S/C21H20N4O2/c1-14(20(26)22-12-11-15-7-3-2-4-8-15)25-18-10-6-5-9-16(18)17-13-23-24-21(27)19(17)25/h2-10,13-14H,11-12H2,1H3,(H,22,26)(H,24,27)