N-(4-cyanophenyl)-4-(7-methoxy-6-phenylmethoxy-quinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-(7-methoxy-6-phenylmethoxy-quinazolin-4-yl)piperazine-1-carboxamide Openeye Name: 4-(6-benzyloxy-7-methoxy-quinazolin-4-yl)-N-(4-cyanophenyl)piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-(7-methoxy-6-phenylmethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-(7-methoxy-6-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: 4-(6-benzoxy-7-methoxy-quinazolin-4-yl)-N-(4-cyanophenyl)piperazine-1-carboxamide Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C28H26N6O3/c1-36-25-16-24-23(15-26(25)37-18-21-5-3-2-4-6-21)27(31-19-30-24)33-11-13-34(14-12-33)28(35)32-22-9-7-20(17-29)8-10-22/h2-10,15-16,19H,11-14,18H2,1H3,(H,32,35)