N-cyclooctyl-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-cyclooctyl-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-cyclooctyl-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-cyclooctyl-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-cyclooctyl-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-cyclooctyl-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O3/c1-16-8-7-13-23(15-16)19-12-11-17(14-20(19)24(26)27)21(25)22-18-9-5-3-2-4-6-10-18/h11-12,14,16,18H,2-10,13,15H2,1H3,(H,22,25)/t16-/m0/s1