N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-nitro-4-piperidino-benzamide Formula: C26H32ClN5O4 MolecularWeight: 514.01638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H32ClN5O4/c1-2-6-25(33)31-15-13-30(14-16-31)22-10-8-20(18-21(22)27)28-26(34)19-7-9-23(24(17-19)32(35)36)29-11-4-3-5-12-29/h7-10,17-18H,2-6,11-16H2,1H3,(H,28,34)