N-(2-tert-butylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2-tert-butylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-tert-butylphenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(2-tert-butylphenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(2-tert-butylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-tert-butylphenyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O3/c1-16-8-7-13-25(15-16)20-12-11-17(14-21(20)26(28)29)22(27)24-19-10-6-5-9-18(19)23(2,3)4/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3,(H,24,27)/t16-/m0/s1