ethyl 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-propan-2-yl-benzimidazole-4-carboxylate

Systemtic Name: ethyl 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-propan-2-yl-benzimidazole-4-carboxylate Openeye Name: ethyl 2-[4-(1H-imidazol-5-yl)-1-piperidyl]-3-isopropyl-benzimidazole-4-carboxylate CAS Name: 2-[4-(1H-imidazol-5-yl)-1-piperidinyl]-3-propan-2-yl-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-propan-2-ylbenzimidazole-4-carboxylate Traditional Name: 2-[4-(1H-imidazol-5-yl)piperidino]-3-isopropyl-benzimidazole-4-carboxylic acid ethyl ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)N=C(N2C(C)C)N3CCC(CC3)C4=CN=CN4

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)N=C(N2C(C)C)N3CCC(CC3)C4=CN=CN4

InChI

InChI=1S/C21H27N5O2/c1-4-28-20(27)16-6-5-7-17-19(16)26(14(2)3)21(24-17)25-10-8-15(9-11-25)18-12-22-13-23-18/h5-7,12-15H,4,8-11H2,1-3H3,(H,22,23)