methanoyl 5-cyano-2-[4-(dimethylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: methanoyl 5-cyano-2-[4-(dimethylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 5-cyano-2-[4-(dimethylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 5-cyano-2-[4-(dimethylamino)-1-oxobutyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 5-cyano-2-[4-(dimethylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 5-cyano-2-[4-(dimethylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1C(=O)CCCN(C)C)C(=O)OC=O)C#N)CN2C=NC=N2

Isomeric SMILES

CCCC1=C(C(=CC(=C1C(=O)CCCN(C)C)C(=O)OC=O)C#N)CN2C=NC=N2

InChI

InChI=1S/C21H25N5O4/c1-4-6-16-18(11-26-13-23-12-24-26)15(10-22)9-17(21(29)30-14-27)20(16)19(28)7-5-8-25(2)3/h9,12-14H,4-8,11H2,1-3H3