ethyl 4-[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxidanylidene-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxidanylidene-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(3-imidazol-1-yl-4-indolin-1-yl-4-oxo-butanoyl)piperazine-1-carboxylate CAS Name: 4-[4-(2,3-dihydroindol-1-yl)-3-(1-imidazolyl)-1,4-dioxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanoyl]piperazine-1-carboxylate Traditional Name: 4-(3-imidazol-1-yl-4-indolin-1-yl-4-keto-butanoyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(C(=O)N2CCC3=CC=CC=C32)N4C=CN=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(C(=O)N2CCC3=CC=CC=C32)N4C=CN=C4

InChI

InChI=1S/C22H27N5O4/c1-2-31-22(30)25-13-11-24(12-14-25)20(28)15-19(26-10-8-23-16-26)21(29)27-9-7-17-5-3-4-6-18(17)27/h3-6,8,10,16,19H,2,7,9,11-15H2,1H3