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

Systemtic Name: methanoyl 2-[3-(4-methylpiperazin-1-yl)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 2-[3-(4-methylpiperazin-1-yl)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 2-[3-(4-methyl-1-piperazinyl)-1-oxopropyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 2-[3-(4-methylpiperazin-1-yl)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 2-[3-(4-methylpiperazino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4/c1-3-4-18-17(13-27-15-23-14-24-27)5-6-19(22(30)31-16-28)21(18)20(29)7-8-26-11-9-25(2)10-12-26/h5-6,14-16H,3-4,7-13H2,1-2H3