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

Systemtic Name: 4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-yl-1-[4-piperidin-1-yl-1-(quinolin-4-ylmethyl)piperidin-4-yl]butane-1,4-dione Openeye Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-(1-piperidyl)-1-[4-(1-piperidyl)-1-(4-quinolylmethyl)-4-piperidyl]butane-1,4-dione CAS Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-(1-piperidinyl)-1-[4-(1-piperidinyl)-1-(4-quinolinylmethyl)-4-piperidinyl]butane-1,4-dione IUPAC Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-yl-1-[4-piperidin-1-yl-1-(quinolin-4-ylmethyl)piperidin-4-yl]butane-1,4-dione Traditional Name: 4-(2-keto-1,4-dihydroquinazolin-3-yl)-2-piperidino-1-[4-piperidino-1-(4-quinolylmethyl)-4-piperidyl]butane-1,4-dione Formula: C37H46N6O3 MolecularWeight: 622.79954

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=NC6=CC=CC=C56)N7CCCCC7

Isomeric SMILES

C1CCN(CC1)C(CC(=O)N2CC3=CC=CC=C3NC2=O)C(=O)C4(CCN(CC4)CC5=CC=NC6=CC=CC=C56)N7CCCCC7

InChI

InChI=1S/C37H46N6O3/c44-34(43-27-29-11-3-5-13-31(29)39-36(43)46)25-33(41-19-7-1-8-20-41)35(45)37(42-21-9-2-10-22-42)16-23-40(24-17-37)26-28-15-18-38-32-14-6-4-12-30(28)32/h3-6,11-15,18,33H,1-2,7-10,16-17,19-27H2,(H,39,46)