6,7-bis[(3,5-ditert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(phenylmethyl)-1H-quinoxalin-2-one

Systemtic Name: 6,7-bis[(3,5-ditert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(phenylmethyl)-1H-quinoxalin-2-one Openeye Name: 3-benzyl-6,7-bis[(3,5-ditert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1H-quinoxalin-2-one CAS Name: 6,7-bis[(3,5-ditert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(phenylmethyl)-1H-quinoxalin-2-one IUPAC Name: 3-benzyl-6,7-bis[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1H-quinoxalin-2-one Traditional Name: 3-benzyl-6,7-bis[(3,5-ditert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-1H-quinoxalin-2-one Formula: C45H54N4O3 MolecularWeight: 698.93526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC2=C(C=C3C(=C2)NC(=O)C(=N3)CC4=CC=CC=C4)NC=C5C=C(C=C(C5=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNC2=C(C=C3C(=C2)NC(=O)C(=N3)CC4=CC=CC=C4)NC=C5C=C(C=C(C5=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C45H54N4O3/c1-42(2,3)30-19-28(39(50)32(21-30)44(7,8)9)25-46-34-23-36-37(49-41(52)38(48-36)18-27-16-14-13-15-17-27)24-35(34)47-26-29-20-31(43(4,5)6)22-33(40(29)51)45(10,11)12/h13-17,19-26,46-47H,18H2,1-12H3,(H,49,52)