1,3-bis[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]quinazoline-2,4-dione

Systemtic Name: 1,3-bis[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]quinazoline-2,4-dione Openeye Name: 1,3-bis[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]quinazoline-2,4-dione CAS Name: 1,3-bis[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]quinazoline-2,4-dione IUPAC Name: 1,3-bis[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]quinazoline-2,4-dione Traditional Name: 1,3-bis[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]quinazoline-2,4-quinone Formula: C48H54N6O4 MolecularWeight: 778.98016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C3=CC=CC=C3C(=O)N(C2=O)CC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O)O)C(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1CN(CCN1CC(CN2C3=CC=CC=C3C(=O)N(C2=O)CC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O)O)C(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C48H54N6O4/c55-41(33-49-25-29-51(30-26-49)45(37-15-5-1-6-16-37)38-17-7-2-8-18-38)35-53-44-24-14-13-23-43(44)47(57)54(48(53)58)36-42(56)34-50-27-31-52(32-28-50)46(39-19-9-3-10-20-39)40-21-11-4-12-22-40/h1-24,41-42,45-46,55-56H,25-36H2