2-butyl-4-(2-naphthalen-1-ylpiperazin-1-yl)-7-nitro-phthalazin-1-one

Systemtic Name: 2-butyl-4-(2-naphthalen-1-ylpiperazin-1-yl)-7-nitro-phthalazin-1-one Openeye Name: 2-butyl-4-[2-(1-naphthyl)piperazin-1-yl]-7-nitro-phthalazin-1-one CAS Name: 2-butyl-4-[2-(1-naphthalenyl)-1-piperazinyl]-7-nitro-1-phthalazinone IUPAC Name: 2-butyl-4-(2-naphthalen-1-ylpiperazin-1-yl)-7-nitrophthalazin-1-one Traditional Name: 2-butyl-4-[2-(1-naphthyl)piperazino]-7-nitro-phthalazin-1-one Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=N1)N3CCNCC3C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=N1)N3CCNCC3C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N5O3/c1-2-3-14-30-26(32)23-16-19(31(33)34)11-12-22(23)25(28-30)29-15-13-27-17-24(29)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,16,24,27H,2-3,13-15,17H2,1H3