butyl 5-[(4-bromophenyl)amino]-2-[3-(dimethylamino)propyl]-1,2,3-triazole-4-carboxylate hydrochloride

Systemtic Name: butyl 5-[(4-bromophenyl)amino]-2-[3-(dimethylamino)propyl]-1,2,3-triazole-4-carboxylate hydrochloride Openeye Name: butyl 5-(4-bromoanilino)-2-[3-(dimethylamino)propyl]triazole-4-carboxylate hydrochloride CAS Name: 5-(4-bromoanilino)-2-[3-(dimethylamino)propyl]-4-triazolecarboxylic acid butyl ester hydrochloride IUPAC Name: butyl 5-(4-bromoanilino)-2-[3-(dimethylamino)propyl]triazole-4-carboxylate hydrochloride Traditional Name: 5-(4-bromoanilino)-2-[3-(dimethylamino)propyl]triazole-4-carboxylic acid butyl ester hydrochloride Formula: C18H27BrClN5O2 MolecularWeight: 460.79628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN(N=C1NC2=CC=C(C=C2)Br)CCCN(C)C.Cl

Isomeric SMILES

CCCCOC(=O)C1=NN(N=C1NC2=CC=C(C=C2)Br)CCCN(C)C.Cl

InChI

InChI=1S/C18H26BrN5O2.ClH/c1-4-5-13-26-18(25)16-17(20-15-9-7-14(19)8-10-15)22-24(21-16)12-6-11-23(2)3;/h7-10H,4-6,11-13H2,1-3H3,(H,20,22);1H