N-[1-(3-azanylpropyl)indol-5-yl]-6-chloranyl-1-(phenylmethyl)benzimidazole-2-carboxamide

Systemtic Name: N-[1-(3-azanylpropyl)indol-5-yl]-6-chloranyl-1-(phenylmethyl)benzimidazole-2-carboxamide Openeye Name: N-[1-(3-aminopropyl)indol-5-yl]-1-benzyl-6-chloro-benzimidazole-2-carboxamide CAS Name: N-[1-(3-aminopropyl)-5-indolyl]-6-chloro-1-(phenylmethyl)-2-benzimidazolecarboxamide IUPAC Name: N-[1-(3-aminopropyl)indol-5-yl]-1-benzyl-6-chlorobenzimidazole-2-carboxamide Traditional Name: N-[1-(3-aminopropyl)indol-5-yl]-1-benzyl-6-chloro-benzimidazole-2-carboxamide Formula: C26H24ClN5O MolecularWeight: 457.95466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)N=C2C(=O)NC4=CC5=C(C=C4)N(C=C5)CCCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)N=C2C(=O)NC4=CC5=C(C=C4)N(C=C5)CCCN

InChI

InChI=1S/C26H24ClN5O/c27-20-7-9-22-24(16-20)32(17-18-5-2-1-3-6-18)25(30-22)26(33)29-21-8-10-23-19(15-21)11-14-31(23)13-4-12-28/h1-3,5-11,14-16H,4,12-13,17,28H2,(H,29,33)