4-(4-methylpiperidin-1-yl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-4-(4-methylpiperidino)-3-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)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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