5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-nitro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]-N-[4-(2-pyridinyl)-2-thiazolyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-nitro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=NC(=CS4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=NC(=CS4)C5=CC=CC=N5

InChI

InChI=1S/C27H25N5O3S/c33-26(30-27-29-24(18-36-27)23-8-4-5-13-28-23)22-17-21(32(34)35)9-10-25(22)31-14-11-20(12-15-31)16-19-6-2-1-3-7-19/h1-10,13,17-18,20H,11-12,14-16H2,(H,29,30,33)