2-[3-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]propyl]-7-nitro-phthalazin-1-one

Systemtic Name: 2-[3-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]propyl]-7-nitro-phthalazin-1-one Openeye Name: 2-[3-[4-(7-methoxy-1-naphthyl)piperazin-1-yl]propyl]-7-nitro-phthalazin-1-one CAS Name: 2-[3-[4-(7-methoxy-1-naphthalenyl)-1-piperazinyl]propyl]-7-nitro-1-phthalazinone IUPAC Name: 2-[3-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]propyl]-7-nitrophthalazin-1-one Traditional Name: 2-[3-[4-(7-methoxy-1-naphthyl)piperazino]propyl]-7-nitro-phthalazin-1-one Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CC=C2N3CCN(CC3)CCCN4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C=N4)C=C1

Isomeric SMILES

COC1=CC2=C(C=CC=C2N3CCN(CC3)CCCN4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C=N4)C=C1

InChI

InChI=1S/C26H27N5O4/c1-35-22-9-7-19-4-2-5-25(23(19)17-22)29-14-12-28(13-15-29)10-3-11-30-26(32)24-16-21(31(33)34)8-6-20(24)18-27-30/h2,4-9,16-18H,3,10-15H2,1H3