N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-4-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-4-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-benzyl-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]piperazine-1-carboxamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-4-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-benzyl-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]piperazine-1-carboxamide Traditional Name: 4-benzyl-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]piperazine-1-carboxamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=O)N4CCN(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=O)N4CCN(CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N5O4/c1-35-25-16-23-24(17-26(25)36-2)29-19-30-27(23)37-22-10-8-21(9-11-22)31-28(34)33-14-12-32(13-15-33)18-20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,31,34)