N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C28H36ClN5O4 MolecularWeight: 542.06954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36ClN5O4/c1-19(2)16-27(35)33-14-12-32(13-15-33)24-7-5-22(29)18-23(24)30-28(36)21-4-6-25(26(17-21)34(37)38)31-10-8-20(3)9-11-31/h4-7,17-20H,8-16H2,1-3H3,(H,30,36)