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

Systemtic Name: 4-phenylmethoxy-3-[[(7-pyrrolidin-1-ylcarbonylquinazolin-4-yl)amino]methyl]benzenecarboximidamide Openeye Name: 4-benzyloxy-3-[[[7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]benzamidine CAS Name: 3-[[[7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinyl]amino]methyl]-4-phenylmethoxybenzenecarboximidamide IUPAC Name: 4-phenylmethoxy-3-[[[7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]benzenecarboximidamide Traditional Name: 4-benzoxy-3-[[[7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]benzamidine Formula: C28H28N6O2 MolecularWeight: 480.56092

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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)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)N)OCC5=CC=CC=C5

InChI

InChI=1S/C28H28N6O2/c29-26(30)20-9-11-25(36-17-19-6-2-1-3-7-19)22(14-20)16-31-27-23-10-8-21(15-24(23)32-18-33-27)28(35)34-12-4-5-13-34/h1-3,6-11,14-15,18H,4-5,12-13,16-17H2,(H3,29,30)(H,31,32,33)