methyl 4-[2-[4-(4-aminocarbonyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[4-(4-aminocarbonyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[4-(4-carbamoyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoate CAS Name: 4-[2-[4-(4-carbamoyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-carbamoyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoate Traditional Name: 4-[2-[4-(4-carbamoyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoic acid methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCN2CCCN(CC2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCN2CCCN(CC2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C23H27N5O3/c1-31-22(30)17-8-6-16(7-9-17)10-13-27-11-3-12-28(15-14-27)23-25-19-5-2-4-18(21(24)29)20(19)26-23/h2,4-9H,3,10-15H2,1H3,(H2,24,29)(H,25,26)