N-(5-tert-butyl-2-methoxy-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O4/c1-16-7-6-12-26(15-16)20-10-8-17(13-21(20)27(29)30)23(28)25-19-14-18(24(2,3)4)9-11-22(19)31-5/h8-11,13-14,16H,6-7,12,15H2,1-5H3,(H,25,28)/t16-/m0/s1