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

Systemtic Name: N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]-3-methyl-4-nitro-benzamide Formula: C28H29ClN4O5 MolecularWeight: 537.00666

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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(=C(C=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN4O5/c1-3-16-38-23-8-4-20(5-9-23)28(35)32-14-12-31(13-15-32)26-11-7-22(18-24(26)29)30-27(34)21-6-10-25(33(36)37)19(2)17-21/h4-11,17-18H,3,12-16H2,1-2H3,(H,30,34)