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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(C1)CCOC2=CC3=C(C=C2)C(=NC=N3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

InChI

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