N-[3-butyl-1-(2-naphthalen-1-ylpiperazin-1-yl)-4-oxidanylidene-phthalazin-6-yl]ethanamide

Systemtic Name: N-[3-butyl-1-(2-naphthalen-1-ylpiperazin-1-yl)-4-oxidanylidene-phthalazin-6-yl]ethanamide Openeye Name: N-[3-butyl-1-[2-(1-naphthyl)piperazin-1-yl]-4-oxo-phthalazin-6-yl]acetamide CAS Name: N-[3-butyl-1-[2-(1-naphthalenyl)-1-piperazinyl]-4-oxo-6-phthalazinyl]acetamide IUPAC Name: N-[3-butyl-1-(2-naphthalen-1-ylpiperazin-1-yl)-4-oxophthalazin-6-yl]acetamide Traditional Name: N-[3-butyl-4-keto-1-[2-(1-naphthyl)piperazino]phthalazin-6-yl]acetamide Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)NC(=O)C)C(=N1)N3CCNCC3C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)NC(=O)C)C(=N1)N3CCNCC3C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H31N5O2/c1-3-4-15-33-28(35)25-17-21(30-19(2)34)12-13-24(25)27(31-33)32-16-14-29-18-26(32)23-11-7-9-20-8-5-6-10-22(20)23/h5-13,17,26,29H,3-4,14-16,18H2,1-2H3,(H,30,34)