[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]methanone

Systemtic Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]methanone Openeye Name: [4-(1,3-benzoxazol-2-yl)-1-piperidyl]-[4-(3-methyl-1-piperidyl)-3-nitro-phenyl]methanone CAS Name: [4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]methanone Traditional Name: [4-(1,3-benzoxazol-2-yl)piperidino]-[4-(3-methylpiperidino)-3-nitro-phenyl]methanone Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4/c1-17-5-4-12-28(16-17)21-9-8-19(15-22(21)29(31)32)25(30)27-13-10-18(11-14-27)24-26-20-6-2-3-7-23(20)33-24/h2-3,6-9,15,17-18H,4-5,10-14,16H2,1H3