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

Systemtic Name: N-(4-cyanophenyl)-4-[7-(3-piperidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[7-[3-(3-piperidyl)propoxy]quinazolin-4-yl]piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[7-[3-(3-piperidinyl)propoxy]-4-quinazolinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-[7-(3-piperidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[7-[3-(3-piperidyl)propoxy]quinazolin-4-yl]piperazine-1-carboxamide Formula: C28H33N7O2 MolecularWeight: 499.60732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CCCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(CNC1)CCCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H33N7O2/c29-18-21-5-7-23(8-6-21)33-28(36)35-14-12-34(13-15-35)27-25-10-9-24(17-26(25)31-20-32-27)37-16-2-4-22-3-1-11-30-19-22/h5-10,17,20,22,30H,1-4,11-16,19H2,(H,33,36)