4-[3-azanyl-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-azanyl-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-(4-benzyl-1-piperidyl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-(4-benzylpiperidin-1-yl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-(4-benzylpiperidino)phenyl]-2H-phthalazin-1-one Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C26H26N4O/c27-23-17-20(25-21-8-4-5-9-22(21)26(31)29-28-25)10-11-24(23)30-14-12-19(13-15-30)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16,27H2,(H,29,31)