tert-butyl 4-azanyl-1-butanoyl-5-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-isoquinoline-6-carboxylate

Systemtic Name: tert-butyl 4-azanyl-1-butanoyl-5-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-isoquinoline-6-carboxylate Openeye Name: tert-butyl 4-amino-1-butanoyl-5-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-isoquinoline-6-carboxylate CAS Name: 4-amino-5-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-1-(1-oxobutyl)-6-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-1-butanoyl-5-[2-(1H-imidazol-5-yl)ethyl]-3-methylisoquinoline-6-carboxylate Traditional Name: 4-amino-1-butyryl-5-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-isoquinoline-6-carboxylic acid tert-butyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=NC(=C(C2=C1C=CC(=C2CCC3=CN=CN3)C(=O)OC(C)(C)C)N)C

Isomeric SMILES

CCCC(=O)C1=NC(=C(C2=C1C=CC(=C2CCC3=CN=CN3)C(=O)OC(C)(C)C)N)C

InChI

InChI=1S/C24H30N4O3/c1-6-7-19(29)22-18-11-10-17(23(30)31-24(3,4)5)16(9-8-15-12-26-13-27-15)20(18)21(25)14(2)28-22/h10-13H,6-9,25H2,1-5H3,(H,26,27)