4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H25N5O2/c32-25-23-9-5-4-8-22(23)24(28-29-25)26(33)27-20-10-12-21(13-11-20)31-16-14-30(15-17-31)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,33)(H,29,32)