1-[1-[(3-bromophenyl)methyl]-4-piperidin-1-yl-piperidin-4-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-yl-butane-1,4-dione

Systemtic Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidin-1-yl-piperidin-4-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-yl-butane-1,4-dione Openeye Name: 1-[1-[(3-bromophenyl)methyl]-4-(1-piperidyl)-4-piperidyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-(1-piperidyl)butane-1,4-dione CAS Name: 1-[1-[(3-bromophenyl)methyl]-4-(1-piperidinyl)-4-piperidinyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-(1-piperidinyl)butane-1,4-dione IUPAC Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidin-1-ylpiperidin-4-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-ylbutane-1,4-dione Traditional Name: 1-[1-(3-bromobenzyl)-4-piperidino-4-piperidyl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)-2-piperidino-butane-1,4-dione Formula: C34H44BrN5O3 MolecularWeight: 650.64886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CC(=O)N2CC3=CC=CC=C3NC2=O)C(=O)C4(CCN(CC4)CC5=CC(=CC=C5)Br)N6CCCCC6

Isomeric SMILES

C1CCN(CC1)C(CC(=O)N2CC3=CC=CC=C3NC2=O)C(=O)C4(CCN(CC4)CC5=CC(=CC=C5)Br)N6CCCCC6

InChI

InChI=1S/C34H44BrN5O3/c35-28-12-9-10-26(22-28)24-37-20-14-34(15-21-37,39-18-7-2-8-19-39)32(42)30(38-16-5-1-6-17-38)23-31(41)40-25-27-11-3-4-13-29(27)36-33(40)43/h3-4,9-13,22,30H,1-2,5-8,14-21,23-25H2,(H,36,43)