N-[4-(3-methylpiperidin-1-yl)butyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)butyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(3-methyl-1-piperidyl)butyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(3-methyl-1-piperidinyl)butyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)butyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(3-methylpiperidino)butyl]-3-propyl-phthalazine-1-carboxamide Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCCN3CCCC(C3)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCCN3CCCC(C3)C

InChI

InChI=1S/C22H32N4O2/c1-3-13-26-22(28)19-11-5-4-10-18(19)20(24-26)21(27)23-12-6-7-14-25-15-8-9-17(2)16-25/h4-5,10-11,17H,3,6-9,12-16H2,1-2H3,(H,23,27)