2-azanylidene-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-azanylidene-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-(phenylmethyl)quinazolin-4-one Openeye Name: 1-benzyl-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-imino-quinazolin-4-one CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-imino-1-(phenylmethyl)-4-quinazolinone IUPAC Name: 1-benzyl-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-iminoquinazolin-4-one Traditional Name: 1-benzyl-3-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-imino-quinazolin-4-one Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(=O)C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(=O)C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O2/c1-29(2,3)23-16-21(17-24(26(23)34)30(4,5)6)19-33-27(35)22-14-10-11-15-25(22)32(28(33)31)18-20-12-8-7-9-13-20/h7-17,31,34H,18-19H2,1-6H3