2-(4-methylpiperidin-1-yl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide

Systemtic Name: 2-(4-methylpiperidin-1-yl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide Openeye Name: 2-(4-methyl-1-piperidyl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: 2-(4-methylpiperidin-1-yl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitrobenzamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C(C)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C(C)C

InChI

InChI=1S/C27H35N5O4/c1-19(2)27(34)31-16-14-29(15-17-31)22-6-4-21(5-7-22)28-26(33)24-18-23(32(35)36)8-9-25(24)30-12-10-20(3)11-13-30/h4-9,18-20H,10-17H2,1-3H3,(H,28,33)