N-(4-methyl-2-oxidanylidene-chromen-7-yl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(4-methyl-2-oxo-chromen-7-yl)-5-nitro-benzamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(4-methyl-2-oxochromen-7-yl)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperidino)-N-(2-keto-4-methyl-chromen-7-yl)-5-nitro-benzamide Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O5/c1-19-15-28(33)37-27-17-22(7-9-24(19)27)30-29(34)25-18-23(32(35)36)8-10-26(25)31-13-11-21(12-14-31)16-20-5-3-2-4-6-20/h2-10,15,17-18,21H,11-14,16H2,1H3,(H,30,34)