N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]-3-nitro-benzamide Formula: C27H27ClN4O5 MolecularWeight: 522.98008

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H27ClN4O5/c1-2-16-37-23-9-6-19(7-10-23)27(34)31-14-12-30(13-15-31)25-11-8-21(18-24(25)28)29-26(33)20-4-3-5-22(17-20)32(35)36/h3-11,17-18H,2,12-16H2,1H3,(H,29,33)