N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]phthalazine-1-carboxamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCC4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCC4

InChI

InChI=1S/C26H32N4O3/c1-18(2)30-26(32)22-10-6-5-9-21(22)24(28-30)25(31)27-17-23(29-15-7-4-8-16-29)19-11-13-20(33-3)14-12-19/h5-6,9-14,18,23H,4,7-8,15-17H2,1-3H3,(H,27,31)