4-oxidanylidene-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(piperidine-1-carbonyl)benzyl]-3-propyl-phthalazine-1-carboxamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H28N4O3/c1-2-14-29-25(32)21-9-5-4-8-20(21)22(27-29)23(30)26-17-18-10-12-19(13-11-18)24(31)28-15-6-3-7-16-28/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,30)