N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C26H32ClN5O4 MolecularWeight: 514.01638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H32ClN5O4/c1-3-25(33)31-14-12-30(13-15-31)22-7-5-20(17-21(22)27)28-26(34)19-4-6-23(24(16-19)32(35)36)29-10-8-18(2)9-11-29/h4-7,16-18H,3,8-15H2,1-2H3,(H,28,34)