3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[4-(1-naphthylmethyl)piperazin-1-yl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[4-(1-naphthalenylmethyl)-1-piperazinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-[4-(1-naphthylmethyl)piperazino]propyl]-2H-phthalazine-1,4-quinone Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C26H26N4O3/c31-24(12-13-30-26(33)23-11-4-3-10-22(23)25(32)27-30)29-16-14-28(15-17-29)18-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2,(H,27,32)