N-[(1S)-1-(6-chloranyl-1H-benzimidazol-2-yl)ethyl]-4-(7-oxidanylidene-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-[(1S)-1-(6-chloranyl-1H-benzimidazol-2-yl)ethyl]-4-(7-oxidanylidene-1,4-diazepan-1-yl)benzamide Openeye Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(7-oxo-1,4-diazepan-1-yl)benzamide CAS Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(7-oxo-1,4-diazepan-1-yl)benzamide IUPAC Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(7-oxo-1,4-diazepan-1-yl)benzamide Traditional Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(7-keto-1,4-diazepan-1-yl)benzamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)N4CCNCCC4=O

Isomeric SMILES

C[C@@H](C1=NC2=C(N1)C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)N4CCNCCC4=O

InChI

InChI=1S/C21H22ClN5O2/c1-13(20-25-17-7-4-15(22)12-18(17)26-20)24-21(29)14-2-5-16(6-3-14)27-11-10-23-9-8-19(27)28/h2-7,12-13,23H,8-11H2,1H3,(H,24,29)(H,25,26)/t13-/m0/s1