tert-butyl 2-(1,4-diazepan-1-yl)-4-(1-hydroxyethyl)benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-(1,4-diazepan-1-yl)-4-(1-hydroxyethyl)benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-(1,4-diazepan-1-yl)-4-(1-hydroxyethyl)benzimidazole-1-carboxylate CAS Name: 2-(1,4-diazepan-1-yl)-4-(1-hydroxyethyl)-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,4-diazepan-1-yl)-4-(1-hydroxyethyl)benzimidazole-1-carboxylate Traditional Name: 2-(1,4-diazepan-1-yl)-4-(1-hydroxyethyl)benzimidazole-1-carboxylic acid tert-butyl ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=CC=C1)N(C(=N2)N3CCCNCC3)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C1=C2C(=CC=C1)N(C(=N2)N3CCCNCC3)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C19H28N4O3/c1-13(24)14-7-5-8-15-16(14)21-17(22-11-6-9-20-10-12-22)23(15)18(25)26-19(2,3)4/h5,7-8,13,20,24H,6,9-12H2,1-4H3