N-[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: 5-nitro-N-[4-(4-p-anisoylpiperazino)phenyl]-2-piperidino-benzamide Formula: C30H33N5O5 MolecularWeight: 543.61352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C30H33N5O5/c1-40-26-12-5-22(6-13-26)30(37)34-19-17-32(18-20-34)24-9-7-23(8-10-24)31-29(36)27-21-25(35(38)39)11-14-28(27)33-15-3-2-4-16-33/h5-14,21H,2-4,15-20H2,1H3,(H,31,36)