N-[2-chloranyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-chloranyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C29H29ClN4O4 MolecularWeight: 533.01796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=C(O4)C=CC(=C5)C(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=C(O4)C=CC(=C5)C(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H29ClN4O4/c1-17(2)19-6-9-27-24(14-19)32-29(38-27)21-4-7-22(30)23(15-21)31-28(35)20-5-8-25(26(16-20)34(36)37)33-12-10-18(3)11-13-33/h4-9,14-18H,10-13H2,1-3H3,(H,31,35)