3-butyl-N-methyl-4-oxidanylidene-N-[(2-piperidin-1-ylphenyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-methyl-4-oxidanylidene-N-[(2-piperidin-1-ylphenyl)methyl]phthalazine-1-carboxamide Openeye Name: 3-butyl-N-methyl-4-oxo-N-[[2-(1-piperidyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-butyl-N-methyl-4-oxo-N-[[2-(1-piperidinyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-methyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-methyl-N-(2-piperidinobenzyl)phthalazine-1-carboxamide Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=CC=C3N4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C26H32N4O2/c1-3-4-18-30-25(31)22-14-8-7-13-21(22)24(27-30)26(32)28(2)19-20-12-6-9-15-23(20)29-16-10-5-11-17-29/h6-9,12-15H,3-5,10-11,16-19H2,1-2H3