3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)hexoxy]phenyl]-4-nitro-benzamide

Systemtic Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)hexoxy]phenyl]-4-nitro-benzamide Openeye Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)hexoxy]phenyl]-4-nitro-benzamide CAS Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methyl-1-piperazinyl)hexoxy]phenyl]-4-nitrobenzamide IUPAC Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)hexoxy]phenyl]-4-nitrobenzamide Traditional Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazino)hexoxy]phenyl]-4-nitro-benzamide Formula: C27H38N4O5 MolecularWeight: 498.61442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC)OCCCCCCN3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC)OCCCCCCN3CCN(CC3)C

InChI

InChI=1S/C27H38N4O5/c1-21-9-11-23(29(3)27(32)22-10-12-24(31(33)34)25(20-22)35-4)26(19-21)36-18-8-6-5-7-13-30-16-14-28(2)15-17-30/h9-12,19-20H,5-8,13-18H2,1-4H3