1-[2-[4-[[(2-pyrrolidin-1-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]quinazolin-4-yl]piperidine-3-carboxamide

Systemtic Name: 1-[2-[4-[[(2-pyrrolidin-1-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]quinazolin-4-yl]piperidine-3-carboxamide Openeye Name: 1-[2-[4-[[(2-pyrrolidin-1-ylquinazolin-4-yl)amino]methyl]-1-piperidyl]quinazolin-4-yl]piperidine-3-carboxamide CAS Name: 1-[2-[4-[[[2-(1-pyrrolidinyl)-4-quinazolinyl]amino]methyl]-1-piperidinyl]-4-quinazolinyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-[4-[[(2-pyrrolidin-1-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]quinazolin-4-yl]piperidine-3-carboxamide Traditional Name: 1-[2-[4-[[(2-pyrrolidinoquinazolin-4-yl)amino]methyl]piperidino]quinazolin-4-yl]nipecotamide Formula: C32H39N9O MolecularWeight: 565.71176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)NCC4CCN(CC4)C5=NC6=CC=CC=C6C(=N5)N7CCCC(C7)C(=O)N

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)NCC4CCN(CC4)C5=NC6=CC=CC=C6C(=N5)N7CCCC(C7)C(=O)N

InChI

InChI=1S/C32H39N9O/c33-28(42)23-8-7-17-41(21-23)30-25-10-2-4-12-27(25)36-32(38-30)40-18-13-22(14-19-40)20-34-29-24-9-1-3-11-26(24)35-31(37-29)39-15-5-6-16-39/h1-4,9-12,22-23H,5-8,13-21H2,(H2,33,42)(H,34,35,37)