2-butyl-4-(2-naphthalen-1-ylpiperazin-1-yl)phthalazin-1-one

Systemtic Name: 2-butyl-4-(2-naphthalen-1-ylpiperazin-1-yl)phthalazin-1-one Openeye Name: 2-butyl-4-[2-(1-naphthyl)piperazin-1-yl]phthalazin-1-one CAS Name: 2-butyl-4-[2-(1-naphthalenyl)-1-piperazinyl]-1-phthalazinone IUPAC Name: 2-butyl-4-(2-naphthalen-1-ylpiperazin-1-yl)phthalazin-1-one Traditional Name: 2-butyl-4-[2-(1-naphthyl)piperazino]phthalazin-1-one Formula: C26H28N4O MolecularWeight: 412.52672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)N3CCNCC3C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)N3CCNCC3C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H28N4O/c1-2-3-16-30-26(31)23-13-7-6-12-22(23)25(28-30)29-17-15-27-18-24(29)21-14-8-10-19-9-4-5-11-20(19)21/h4-14,24,27H,2-3,15-18H2,1H3