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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CCCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CNCC1CCCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H31N7O2/c28-17-20-3-5-22(6-4-20)32-27(35)34-13-11-33(12-14-34)26-24-8-7-23(16-25(24)30-19-31-26)36-15-1-2-21-9-10-29-18-21/h3-8,16,19,21,29H,1-2,9-15,18H2,(H,32,35)