methanesulfonic acid; 4-morpholin-4-yl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]butanamide; hydrate

Systemtic Name: methanesulfonic acid; 4-morpholin-4-yl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]butanamide; hydrate Openeye Name: methanesulfonic acid; 4-morpholino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide; hydrate CAS Name: methanesulfonic acid; 4-(4-morpholinyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide; hydrate IUPAC Name: methanesulfonic acid; 4-morpholin-4-yl-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide; hydrate Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-4-morpholino-butyramide; mesylic acid; hydrate Formula: C23H30N4O7S MolecularWeight: 506.5719

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1COCCN1CCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.O

Isomeric SMILES

CS(=O)(=O)O.C1COCCN1CCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.O

InChI

InChI=1S/C22H24N4O3.CH4O3S.H2O/c27-20(9-4-10-26-11-13-29-14-12-26)23-17-6-3-5-16(15-17)21-18-7-1-2-8-19(18)22(28)25-24-21;1-5(2,3)4;/h1-3,5-8,15H,4,9-14H2,(H,23,27)(H,25,28);1H3,(H,2,3,4);1H2