methyl 4-[[4-[6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-[6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[6-methoxy-7-[1-(3-pyrrolidinyl)propoxy]-4-quinazolinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C29H36N6O5 MolecularWeight: 548.63334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCNC1)OC2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C(=O)OC)OC

Isomeric SMILES

CCC(C1CCNC1)OC2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C(=O)OC)OC

InChI

InChI=1S/C29H36N6O5/c1-4-24(20-9-10-30-17-20)40-26-16-23-22(15-25(26)38-2)27(32-18-31-23)34-11-13-35(14-12-34)29(37)33-21-7-5-19(6-8-21)28(36)39-3/h5-8,15-16,18,20,24,30H,4,9-14,17H2,1-3H3,(H,33,37)