2-[1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-3-methyl-butyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-methyl-1-(4-p-anisylpiperazine-1-carbonyl)butyl]-4-nitro-isoindoline-1,3-quinone Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O6/c1-17(2)15-22(29-24(31)20-5-4-6-21(30(34)35)23(20)26(29)33)25(32)28-13-11-27(12-14-28)16-18-7-9-19(36-3)10-8-18/h4-10,17,22H,11-16H2,1-3H3