4-[2-(aminomethyl)pyrrolidin-1-yl]carbonyl-3-chloranyl-N-[(6-chloranyl-1H-benzimidazol-2-yl)methyl]benzamide

Systemtic Name: 4-[2-(aminomethyl)pyrrolidin-1-yl]carbonyl-3-chloranyl-N-[(6-chloranyl-1H-benzimidazol-2-yl)methyl]benzamide Openeye Name: 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-3-chloro-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]benzamide CAS Name: 4-[[2-(aminomethyl)-1-pyrrolidinyl]-oxomethyl]-3-chloro-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]benzamide IUPAC Name: 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-3-chloro-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]benzamide Traditional Name: 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-3-chloro-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]benzamide Formula: C21H21Cl2N5O2 MolecularWeight: 446.32974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=C(C=C(C=C2)C(=O)NCC3=NC4=C(N3)C=C(C=C4)Cl)Cl)CN

Isomeric SMILES

C1CC(N(C1)C(=O)C2=C(C=C(C=C2)C(=O)NCC3=NC4=C(N3)C=C(C=C4)Cl)Cl)CN

InChI

InChI=1S/C21H21Cl2N5O2/c22-13-4-6-17-18(9-13)27-19(26-17)11-25-20(29)12-3-5-15(16(23)8-12)21(30)28-7-1-2-14(28)10-24/h3-6,8-9,14H,1-2,7,10-11,24H2,(H,25,29)(H,26,27)