N-[2-(4-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-16-4-3-13-24(15-16)20-10-7-18(14-21(20)25(27)28)22(26)23-12-11-17-5-8-19(29-2)9-6-17/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,23,26)/t16-/m0/s1