3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole-5-carboximidamide

Systemtic Name: 3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole-5-carboximidamide Openeye Name: 3-[(5-carbamimidoyl-1-isopentyl-benzimidazol-2-yl)methyl]benzotriazole-5-carboxamidine CAS Name: 3-[[5-carbamimidoyl-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-5-benzotriazolecarboximidamide IUPAC Name: 3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole-5-carboximidamide Traditional Name: 3-[(5-amidino-1-isoamyl-benzimidazol-2-yl)methyl]benzotriazole-5-carboxamidine Formula: C21H25N9 MolecularWeight: 403.4835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C(=N)N)N=C1CN3C4=C(C=CC(=C4)C(=N)N)N=N3

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C(=N)N)N=C1CN3C4=C(C=CC(=C4)C(=N)N)N=N3

InChI

InChI=1S/C21H25N9/c1-12(2)7-8-29-17-6-4-13(20(22)23)9-16(17)26-19(29)11-30-18-10-14(21(24)25)3-5-15(18)27-28-30/h3-6,9-10,12H,7-8,11H2,1-2H3,(H3,22,23)(H3,24,25)