N-tert-butyl-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-tert-butyl-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-tert-butyl-5-nitro-benzamide CAS Name: N-tert-butyl-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-tert-butyl-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperidino)-N-tert-butyl-5-nitro-benzamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)24-22(27)20-16-19(26(28)29)9-10-21(20)25-13-11-18(12-14-25)15-17-7-5-4-6-8-17/h4-10,16,18H,11-15H2,1-3H3,(H,24,27)