4-phenylmethoxy-3-[[(7-pyrrolidin-1-ylcarbonylquinazolin-4-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-phenylmethoxy-3-[[(7-pyrrolidin-1-ylcarbonylquinazolin-4-yl)amino]methyl]benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[[[7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]benzonitrile CAS Name: 3-[[[7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinyl]amino]methyl]-4-phenylmethoxybenzonitrile IUPAC Name: 4-phenylmethoxy-3-[[[7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]benzonitrile Traditional Name: 4-benzoxy-3-[[[7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]benzonitrile Formula: C28H25N5O2 MolecularWeight: 463.5304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=NC=N3)NCC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=NC=N3)NCC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C28H25N5O2/c29-16-21-8-11-26(35-18-20-6-2-1-3-7-20)23(14-21)17-30-27-24-10-9-22(15-25(24)31-19-32-27)28(34)33-12-4-5-13-33/h1-3,6-11,14-15,19H,4-5,12-13,17-18H2,(H,30,31,32)