3-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one Openeye Name: 3-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one CAS Name: 3-[[5-(aminomethyl)-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-1H-benzimidazol-2-one IUPAC Name: 3-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one Traditional Name: 3-[[5-(aminomethyl)-1-isoamyl-benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)CN)N=C1CN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)CN)N=C1CN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H25N5O/c1-14(2)9-10-25-19-8-7-15(12-22)11-17(19)23-20(25)13-26-18-6-4-3-5-16(18)24-21(26)27/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,24,27)