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

Systemtic Name: [5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-cyclohexyl-methanone Openeye Name: [5-[(3-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-cyclohexyl-methanone CAS Name: [5-[(3-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-cyclohexylmethanone IUPAC Name: [5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-cyclohexylmethanone Traditional Name: [5-[(3-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]-cyclohexyl-methanone Formula: C20H21BrN4O2 MolecularWeight: 429.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H21BrN4O2/c21-16-9-4-6-14(12-16)13-22-20-23-18(17-10-5-11-27-17)24-25(20)19(26)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13H2,(H,22,23,24)