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

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]phthalazine-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-2-33-28(35)25-11-7-6-10-24(25)26(30-33)27(34)29-22-12-14-23(15-13-22)32-18-16-31(17-19-32)20-21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3,(H,29,34)