1-methyl-4-[3-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-methyl-4-[3-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-methyl-4-[3-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-methyl-4-[3-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]propyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-methyl-4-[3-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-methyl-4-[3-[4-(3-phenoxybenzyl)piperazino]propyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C30H32N6O2 MolecularWeight: 508.61408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=CC=CC=C3C(=O)N2CCCN4CCN(CC4)CC5=CC(=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=NN=C2N1C3=CC=CC=C3C(=O)N2CCCN4CCN(CC4)CC5=CC(=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C30H32N6O2/c1-23-31-32-30-35(29(37)27-13-5-6-14-28(27)36(23)30)16-8-15-33-17-19-34(20-18-33)22-24-9-7-12-26(21-24)38-25-10-3-2-4-11-25/h2-7,9-14,21H,8,15-20,22H2,1H3