3-methyl-4-oxidanylidene-N-[1-(phenylcarbamoyl)piperidin-4-yl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[1-(phenylcarbamoyl)piperidin-4-yl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[1-(phenylcarbamoyl)-4-piperidyl]phthalazine-1-carboxamide CAS Name: N-[1-[anilino(oxo)methyl]-4-piperidinyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[1-(phenylcarbamoyl)piperidin-4-yl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[1-(phenylcarbamoyl)-4-piperidyl]phthalazine-1-carboxamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3/c1-26-21(29)18-10-6-5-9-17(18)19(25-26)20(28)23-16-11-13-27(14-12-16)22(30)24-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3,(H,23,28)(H,24,30)