N-(4-cyanophenyl)-4-[7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-[7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-[7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[7-(3-pyrrolidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide Formula: C27H31N7O2 MolecularWeight: 485.58074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(C1)CCCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H31N7O2/c28-19-21-4-6-22(7-5-21)31-27(35)34-15-13-33(14-16-34)26-24-9-8-23(18-25(24)29-20-30-26)36-17-3-12-32-10-1-2-11-32/h4-9,18,20H,1-3,10-17H2,(H,31,35)