N-[4-[4-(4-methoxyquinolin-2-yl)carbonylpiperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[4-(4-methoxyquinolin-2-yl)carbonylpiperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-[4-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-piperazinyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazino]phenyl]-4-methyl-3-nitro-benzamide Formula: C29H27N5O5 MolecularWeight: 525.55518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=NC5=CC=CC=C5C(=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=NC5=CC=CC=C5C(=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C29H27N5O5/c1-19-7-8-20(17-26(19)34(37)38)28(35)30-21-9-11-22(12-10-21)32-13-15-33(16-14-32)29(36)25-18-27(39-2)23-5-3-4-6-24(23)31-25/h3-12,17-18H,13-16H2,1-2H3,(H,30,35)