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

Systemtic Name: methanoyl 5-cyano-2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 5-cyano-2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 5-cyano-2-[3-(methylamino)-1-oxopropyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 5-cyano-2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 5-cyano-2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c1-3-4-14-16(9-24-11-22-10-23-24)13(8-20)7-15(19(27)28-12-25)18(14)17(26)5-6-21-2/h7,10-12,21H,3-6,9H2,1-2H3