cyclohexyl-[5-[(4-dimethylaminophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: cyclohexyl-[5-[(4-dimethylaminophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]methanone Openeye Name: cyclohexyl-[5-[(4-dimethylaminophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]methanone CAS Name: cyclohexyl-[5-[(4-dimethylaminophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: cyclohexyl-[5-[(4-dimethylaminophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]methanone Traditional Name: cyclohexyl-[5-[[4-(dimethylamino)benzyl]amino]-3-(2-furyl)-1,2,4-triazol-1-yl]methanone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3CCCCC3)C4=CC=CO4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3CCCCC3)C4=CC=CO4

InChI

InChI=1S/C22H27N5O2/c1-26(2)18-12-10-16(11-13-18)15-23-22-24-20(19-9-6-14-29-19)25-27(22)21(28)17-7-4-3-5-8-17/h6,9-14,17H,3-5,7-8,15H2,1-2H3,(H,23,24,25)