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

Systemtic Name: methanoyl 2-[4-(4-methylpiperazin-1-yl)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 2-[4-(4-methylpiperazin-1-yl)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 2-[4-(4-methyl-1-piperazinyl)-1-oxobutyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 2-[4-(4-methylpiperazin-1-yl)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 2-[4-(4-methylpiperazino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1C(=O)CCCN2CCN(CC2)C)C(=O)OC=O)CN3C=NC=N3

Isomeric SMILES

CCCC1=C(C=CC(=C1C(=O)CCCN2CCN(CC2)C)C(=O)OC=O)CN3C=NC=N3

InChI

InChI=1S/C23H31N5O4/c1-3-5-19-18(14-28-16-24-15-25-28)7-8-20(23(31)32-17-29)22(19)21(30)6-4-9-27-12-10-26(2)11-13-27/h7-8,15-17H,3-6,9-14H2,1-2H3