N-[2-[(1-methylpyrrol-2-yl)carbonylamino]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(1-methylpyrrol-2-yl)carbonylamino]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-3H-phthalazine-1-carboxamide Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NCCNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CN1C=CC=C1C(=O)NCCNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H17N5O3/c1-22-10-4-7-13(22)16(24)18-8-9-19-17(25)14-11-5-2-3-6-12(11)15(23)21-20-14/h2-7,10H,8-9H2,1H3,(H,18,24)(H,19,25)(H,21,23)