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

Systemtic Name: methanoyl 5-cyano-2-[4-(methylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 5-cyano-2-[4-(methylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 5-cyano-2-[4-(methylamino)-1-oxobutyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 5-cyano-2-[4-(methylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 5-cyano-2-[4-(methylamino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-3-5-15-17(10-25-12-23-11-24-25)14(9-21)8-16(20(28)29-13-26)19(15)18(27)6-4-7-22-2/h8,11-13,22H,3-7,10H2,1-2H3