tert-butyl 3-[1-(dimethylamino)ethyl]-5-[(1H-imidazol-2-ylamino)methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[1-(dimethylamino)ethyl]-5-[(1H-imidazol-2-ylamino)methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[1-(dimethylamino)ethyl]-5-[(1H-imidazol-2-ylamino)methyl]indole-1-carboxylate CAS Name: 3-[1-(dimethylamino)ethyl]-5-[(1H-imidazol-2-ylamino)methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(dimethylamino)ethyl]-5-[(1H-imidazol-2-ylamino)methyl]indole-1-carboxylate Traditional Name: 3-[1-(dimethylamino)ethyl]-5-[(1H-imidazol-2-ylamino)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=C1C=C(C=C2)CNC3=NC=CN3)C(=O)OC(C)(C)C)N(C)C

Isomeric SMILES

CC(C1=CN(C2=C1C=C(C=C2)CNC3=NC=CN3)C(=O)OC(C)(C)C)N(C)C

InChI

InChI=1S/C21H29N5O2/c1-14(25(5)6)17-13-26(20(27)28-21(2,3)4)18-8-7-15(11-16(17)18)12-24-19-22-9-10-23-19/h7-11,13-14H,12H2,1-6H3,(H2,22,23,24)