4-[5-(aminomethyl)-2-[(3-ethenylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol

Systemtic Name: 4-[5-(aminomethyl)-2-[(3-ethenylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol Openeye Name: 4-[5-(aminomethyl)-2-[(3-vinylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol CAS Name: 4-[5-(aminomethyl)-2-[(3-ethenyl-1-indazolyl)methyl]-1-benzimidazolyl]-1-butanol IUPAC Name: 4-[5-(aminomethyl)-2-[(3-ethenylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol Traditional Name: 4-[5-(aminomethyl)-2-[(3-vinylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=NN(C2=CC=CC=C21)CC3=NC4=C(N3CCCCO)C=CC(=C4)CN

Isomeric SMILES

C=CC1=NN(C2=CC=CC=C21)CC3=NC4=C(N3CCCCO)C=CC(=C4)CN

InChI

InChI=1S/C22H25N5O/c1-2-18-17-7-3-4-8-20(17)27(25-18)15-22-24-19-13-16(14-23)9-10-21(19)26(22)11-5-6-12-28/h2-4,7-10,13,28H,1,5-6,11-12,14-15,23H2