1-(3-bromophenyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(3-bromophenyl)triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]-4-triazolecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-(3-bromophenyl)triazole-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-(3-bromophenyl)triazole-4-carboxamide Formula: C20H20BrN5O MolecularWeight: 426.3097

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C20H20BrN5O/c21-16-7-4-8-18(11-16)26-14-19(23-24-26)20(27)22-17-9-10-25(13-17)12-15-5-2-1-3-6-15/h1-8,11,14,17H,9-10,12-13H2,(H,22,27)