N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-2-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-2-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-2-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[7-[2-(2-pyrrolidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-2-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-2-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(NC1)CCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H29N7O2/c27-17-19-3-5-21(6-4-19)31-26(34)33-13-11-32(12-14-33)25-23-8-7-22(16-24(23)29-18-30-25)35-15-9-20-2-1-10-28-20/h3-8,16,18,20,28H,1-2,9-15H2,(H,31,34)