3-(3-butan-2-yloxyphenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(3-butan-2-yloxyphenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-2H-1,2,4-triazin-5-one Openeye Name: 6-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-3-(3-sec-butoxyphenyl)-2H-1,2,4-triazin-5-one CAS Name: 3-(3-butan-2-yloxyphenyl)-6-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-(3-butan-2-yloxyphenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-[3-keto-3-(4-methylpiperazino)propyl]-3-(3-sec-butoxyphenyl)-2H-1,2,4-triazin-5-one Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCN(CC3)C

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H29N5O3/c1-4-15(2)29-17-7-5-6-16(14-17)20-22-21(28)18(23-24-20)8-9-19(27)26-12-10-25(3)11-13-26/h5-7,14-15H,4,8-13H2,1-3H3,(H,22,24,28)