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

Systemtic Name: cyclohexyl-[3-(furan-2-yl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]methanone Openeye Name: cyclohexyl-[3-(2-furyl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]methanone CAS Name: cyclohexyl-[3-(2-furanyl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]methanone IUPAC Name: cyclohexyl-[3-(furan-2-yl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]methanone Traditional Name: cyclohexyl-[3-(2-furyl)-5-[(3-nitrobenzyl)amino]-1,2,4-triazol-1-yl]methanone Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c26-19(15-7-2-1-3-8-15)24-20(22-18(23-24)17-10-5-11-29-17)21-13-14-6-4-9-16(12-14)25(27)28/h4-6,9-12,15H,1-3,7-8,13H2,(H,21,22,23)