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

Systemtic Name: 4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2/c1-2-16-34-29(36)26-11-7-6-10-25(26)27(31-34)28(35)30-23-12-14-24(15-13-23)33-19-17-32(18-20-33)21-22-8-4-3-5-9-22/h3-15H,2,16-21H2,1H3,(H,30,35)