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

Systemtic Name: methanoyl 5-cyano-2-[3-(4-methylpiperazin-1-yl)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 5-cyano-2-[3-(4-methylpiperazin-1-yl)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 5-cyano-2-[3-(4-methyl-1-piperazinyl)-1-oxopropyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 5-cyano-2-[3-(4-methylpiperazin-1-yl)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 5-cyano-2-[3-(4-methylpiperazino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1C(=O)CCN2CCN(CC2)C)C(=O)OC=O)C#N)CN3C=NC=N3

Isomeric SMILES

CCCC1=C(C(=CC(=C1C(=O)CCN2CCN(CC2)C)C(=O)OC=O)C#N)CN3C=NC=N3

InChI

InChI=1S/C23H28N6O4/c1-3-4-18-20(13-29-15-25-14-26-29)17(12-24)11-19(23(32)33-16-30)22(18)21(31)5-6-28-9-7-27(2)8-10-28/h11,14-16H,3-10,13H2,1-2H3