N-(4-bromanyl-3-methyl-phenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxidanylidene-phthalazin-2-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(3-methyl-1-piperidyl)-1-oxo-phthalazin-2-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(3-methyl-1-piperidinyl)-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[1-keto-4-(3-methylpiperidino)phthalazin-2-yl]acetamide Formula: C23H25BrN4O2 MolecularWeight: 469.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)Br)C

Isomeric SMILES

CC1CCCN(C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C23H25BrN4O2/c1-15-6-5-11-27(13-15)22-18-7-3-4-8-19(18)23(30)28(26-22)14-21(29)25-17-9-10-20(24)16(2)12-17/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3,(H,25,29)