(3-oxidanidylbenzotriazol-3-ium-1-yl)-[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]phenyl]methanone

Systemtic Name: (3-oxidanidylbenzotriazol-3-ium-1-yl)-[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]phenyl]methanone Openeye Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]phenyl]methanone CAS Name: (3-oxido-1-benzotriazol-3-iumyl)-[4-[4-(4-phenylcyclohexyl)-1-piperazinyl]phenyl]methanone IUPAC Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]phenyl]methanone Traditional Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-[4-(4-phenylcyclohexyl)piperazino]phenyl]methanone Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)N5C6=CC=CC=C6[N+](=N5)[O-]

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)N5C6=CC=CC=C6[N+](=N5)[O-]

InChI

InChI=1S/C29H31N5O2/c35-29(33-27-8-4-5-9-28(27)34(36)30-33)24-12-16-26(17-13-24)32-20-18-31(19-21-32)25-14-10-23(11-15-25)22-6-2-1-3-7-22/h1-9,12-13,16-17,23,25H,10-11,14-15,18-21H2