N-(2-methyl-2-piperidin-1-yl-propyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methyl-2-piperidin-1-yl-propyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[2-methyl-2-(1-piperidyl)propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-methyl-2-(1-piperidinyl)propyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-(2-methyl-2-piperidino-propyl)phthalazine-1-carboxamide Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C)(C)N3CCCCC3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C)(C)N3CCCCC3

InChI

InChI=1S/C21H30N4O2/c1-15(2)25-20(27)17-11-7-6-10-16(17)18(23-25)19(26)22-14-21(3,4)24-12-8-5-9-13-24/h6-7,10-11,15H,5,8-9,12-14H2,1-4H3,(H,22,26)