4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-N-(3-cyanophenyl)piperazine-1-carboxamide hydrochloride

Systemtic Name: 4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-N-(3-cyanophenyl)piperazine-1-carboxamide hydrochloride Openeye Name: 4-[(5-chlorobenzofuran-2-yl)methyl]-N-(3-cyanophenyl)piperazine-1-carboxamide hydrochloride CAS Name: 4-[(5-chloro-2-benzofuranyl)methyl]-N-(3-cyanophenyl)-1-piperazinecarboxamide hydrochloride IUPAC Name: 4-[(5-chloro-1-benzofuran-2-yl)methyl]-N-(3-cyanophenyl)piperazine-1-carboxamide hydrochloride Traditional Name: 4-[(5-chlorobenzofuran-2-yl)methyl]-N-(3-cyanophenyl)piperazine-1-carboxamide hydrochloride Formula: C21H20Cl2N4O2 MolecularWeight: 431.3151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)Cl)C(=O)NC4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)Cl)C(=O)NC4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C21H19ClN4O2.ClH/c22-17-4-5-20-16(11-17)12-19(28-20)14-25-6-8-26(9-7-25)21(27)24-18-3-1-2-15(10-18)13-23;/h1-5,10-12H,6-9,14H2,(H,24,27);1H