N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-methyl-2-phenyl-1-piperazinyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-(4-methyl-2-phenyl-piperazino)ethyl]phthalazine-1-carboxamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCN3CCN(CC3C4=CC=CC=C4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCN3CCN(CC3C4=CC=CC=C4)C

InChI

InChI=1S/C27H35N5O2/c1-3-4-10-16-32-27(34)23-14-9-8-13-22(23)25(29-32)26(33)28-15-17-31-19-18-30(2)20-24(31)21-11-6-5-7-12-21/h5-9,11-14,24H,3-4,10,15-20H2,1-2H3,(H,28,33)