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

Systemtic Name: 2-butyl-4-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]-7-nitro-phthalazin-1-one Openeye Name: 2-butyl-4-[4-(7-methoxy-1-naphthyl)piperazin-1-yl]-7-nitro-phthalazin-1-one CAS Name: 2-butyl-4-[4-(7-methoxy-1-naphthalenyl)-1-piperazinyl]-7-nitro-1-phthalazinone IUPAC Name: 2-butyl-4-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]-7-nitrophthalazin-1-one Traditional Name: 2-butyl-4-[4-(7-methoxy-1-naphthyl)piperazino]-7-nitro-phthalazin-1-one Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=N1)N3CCN(CC3)C4=CC=CC5=C4C=C(C=C5)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=N1)N3CCN(CC3)C4=CC=CC5=C4C=C(C=C5)OC

InChI

InChI=1S/C27H29N5O4/c1-3-4-12-31-27(33)24-17-20(32(34)35)9-11-22(24)26(28-31)30-15-13-29(14-16-30)25-7-5-6-19-8-10-21(36-2)18-23(19)25/h5-11,17-18H,3-4,12-16H2,1-2H3