diethyl-[2-[[3-(3-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[3-(3-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[3-(3-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[[3-(3-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[4-keto-3-(3-methoxyphenyl)phthalazine-1-carbonyl]amino]ethyl]ammonium Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26N4O3/c1-4-25(5-2)14-13-23-21(27)20-18-11-6-7-12-19(18)22(28)26(24-20)16-9-8-10-17(15-16)29-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,27)/p+1