N-[3-(azepan-1-ium-1-yl)propyl]-3-(2-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(2-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(2-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-(2-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-keto-3-(2-methoxyphenyl)phthalazine-1-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CCCCCC4

InChI

InChI=1S/C25H30N4O3/c1-32-22-14-7-6-13-21(22)29-25(31)20-12-5-4-11-19(20)23(27-29)24(30)26-15-10-18-28-16-8-2-3-9-17-28/h4-7,11-14H,2-3,8-10,15-18H2,1H3,(H,26,30)/p+1