2-[3-(2-naphthalen-1-ylpiperazin-1-yl)propyl]-7-nitro-phthalazin-1-one

Systemtic Name: 2-[3-(2-naphthalen-1-ylpiperazin-1-yl)propyl]-7-nitro-phthalazin-1-one Openeye Name: 2-[3-[2-(1-naphthyl)piperazin-1-yl]propyl]-7-nitro-phthalazin-1-one CAS Name: 2-[3-[2-(1-naphthalenyl)-1-piperazinyl]propyl]-7-nitro-1-phthalazinone IUPAC Name: 2-[3-(2-naphthalen-1-ylpiperazin-1-yl)propyl]-7-nitrophthalazin-1-one Traditional Name: 2-[3-[2-(1-naphthyl)piperazino]propyl]-7-nitro-phthalazin-1-one Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=CC=CC3=CC=CC=C32)CCCN4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

Isomeric SMILES

C1CN(C(CN1)C2=CC=CC3=CC=CC=C32)CCCN4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

InChI

InChI=1S/C25H25N5O3/c31-25-23-15-20(30(32)33)10-9-19(23)16-27-29(25)13-4-12-28-14-11-26-17-24(28)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,15-16,24,26H,4,11-14,17H2