methanoyl 5-cyano-4-(4-methylpiperazin-1-yl)-2-(4-oxidanylidenebutanoyl)-3-propyl-6-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: methanoyl 5-cyano-4-(4-methylpiperazin-1-yl)-2-(4-oxidanylidenebutanoyl)-3-propyl-6-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 5-cyano-4-(4-methylpiperazin-1-yl)-2-(4-oxobutanoyl)-3-propyl-6-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 5-cyano-2-(1,4-dioxobutyl)-4-(4-methyl-1-piperazinyl)-3-propyl-6-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 5-cyano-4-(4-methylpiperazin-1-yl)-2-(4-oxobutanoyl)-3-propyl-6-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 5-cyano-2-(4-ketobutanoyl)-4-(4-methylpiperazino)-3-propyl-6-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1C(=O)CCC=O)C(=O)OC=O)CN2C=NC=N2)C#N)N3CCN(CC3)C

Isomeric SMILES

CCCC1=C(C(=C(C(=C1C(=O)CCC=O)C(=O)OC=O)CN2C=NC=N2)C#N)N3CCN(CC3)C

InChI

InChI=1S/C24H28N6O5/c1-3-5-17-21(20(33)6-4-11-31)22(24(34)35-16-32)19(13-30-15-26-14-27-30)18(12-25)23(17)29-9-7-28(2)8-10-29/h11,14-16H,3-10,13H2,1-2H3