4-phenylmethoxyaniline; N-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]prop-2-enamide

Systemtic Name: 4-phenylmethoxyaniline; N-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]prop-2-enamide Openeye Name: 4-benzyloxyaniline; N-[4-(4-benzyloxyanilino)quinazolin-6-yl]prop-2-enamide CAS Name: 4-phenylmethoxyaniline; N-[4-(4-phenylmethoxyanilino)-6-quinazolinyl]-2-propenamide IUPAC Name: 4-phenylmethoxyaniline; N-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-(4-benzoxyanilino)quinazolin-6-yl]acrylamide; (4-benzoxyphenyl)amine Formula: C37H33N5O3 MolecularWeight: 595.68962

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4.C1=CC=C(C=C1)COC2=CC=C(C=C2)N

Isomeric SMILES

C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4.C1=CC=C(C=C1)COC2=CC=C(C=C2)N

InChI

InChI=1S/C24H20N4O2.C13H13NO/c1-2-23(29)27-19-10-13-22-21(14-19)24(26-16-25-22)28-18-8-11-20(12-9-18)30-15-17-6-4-3-5-7-17;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h2-14,16H,1,15H2,(H,27,29)(H,25,26,28);1-9H,10,14H2