N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(phenylmethyl)piperidin-1-yl]propanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(phenylmethyl)piperidin-1-yl]propanamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(phenylmethyl)-1-piperidinyl]propanamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-(4-benzylpiperidino)-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCC(CC2)CC3=CC=CC=C3)C

InChI

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