N-(3-azanylpropyl)-N-[(1R)-1-[5-bromanyl-1-(phenylmethyl)benzimidazol-2-yl]propyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[(1R)-1-[5-bromanyl-1-(phenylmethyl)benzimidazol-2-yl]propyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-benzimidazol-2-yl)propyl]benzamide CAS Name: N-(3-aminopropyl)-N-[(1R)-1-[5-bromo-1-(phenylmethyl)-2-benzimidazolyl]propyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromobenzimidazol-2-yl)propyl]benzamide Traditional Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-benzimidazol-2-yl)propyl]benzamide Formula: C27H29BrN4O MolecularWeight: 505.44936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Br)N(CCCN)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Br)N(CCCN)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29BrN4O/c1-2-24(31(17-9-16-29)27(33)21-12-7-4-8-13-21)26-30-23-18-22(28)14-15-25(23)32(26)19-20-10-5-3-6-11-20/h3-8,10-15,18,24H,2,9,16-17,19,29H2,1H3/t24-/m1/s1