N-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-phenyl-pentyl]-4-nitro-benzamide

Systemtic Name: N-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-phenyl-pentyl]-4-nitro-benzamide Openeye Name: N-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-phenyl-pentyl]-4-nitro-benzamide CAS Name: N-[5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpentyl]-4-nitrobenzamide IUPAC Name: N-[5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpentyl]-4-nitrobenzamide Traditional Name: N-[5-[homoveratryl(methyl)amino]-1-phenyl-pentyl]-4-nitro-benzamide Formula: C29H35N3O5 MolecularWeight: 505.6053

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H35N3O5/c1-31(20-18-22-12-17-27(36-2)28(21-22)37-3)19-8-7-11-26(23-9-5-4-6-10-23)30-29(33)24-13-15-25(16-14-24)32(34)35/h4-6,9-10,12-17,21,26H,7-8,11,18-20H2,1-3H3,(H,30,33)