5-(4-chloranyl-3-methoxy-phenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-chloranyl-3-methoxy-phenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5-(4-chloro-3-methoxy-phenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-(4-chloro-3-methoxyphenyl)-3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5-(4-chloro-3-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5-(4-chloro-3-methoxy-phenyl)-3-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazole Formula: C20H21ClN4O MolecularWeight: 368.85994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4)Cl

InChI

InChI=1S/C20H21ClN4O/c1-26-18-12-16(7-8-17(18)21)20-22-19(23-24-20)15-6-4-5-14(11-15)13-25-9-2-3-10-25/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,23,24)