6-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-(4-allyloxyphenyl)-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-1,2,4-triazin-5-one CAS Name: 6-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(4-allyloxyphenyl)-6-[3-keto-3-(4-phenylpiperazino)propyl]-2H-1,2,4-triazin-5-one Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c1-2-18-33-21-10-8-19(9-11-21)24-26-25(32)22(27-28-24)12-13-23(31)30-16-14-29(15-17-30)20-6-4-3-5-7-20/h2-11H,1,12-18H2,(H,26,28,32)