3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[4-(1-naphthylmethyl)piperazino]ethyl]phthalazine-1-carboxamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)N

InChI

InChI=1S/C26H25N5O3/c27-25(33)24-21-10-3-4-11-22(21)26(34)31(28-24)17-23(32)30-14-12-29(13-15-30)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2,(H2,27,33)