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

Systemtic Name: [5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-cyclohexyl-methanone Openeye Name: [5-[(4-chlorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-cyclohexyl-methanone CAS Name: [5-[(4-chlorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-cyclohexylmethanone IUPAC Name: [5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-cyclohexylmethanone Traditional Name: [5-[(4-chlorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-cyclohexyl-methanone Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O/c22-18-10-8-15(9-11-18)13-24-21-25-19(17-7-4-12-23-14-17)26-27(21)20(28)16-5-2-1-3-6-16/h4,7-12,14,16H,1-3,5-6,13H2,(H,24,25,26)