2-(2,5-ditert-butylphenyl)-6-(prop-2-enylamino)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2,5-ditert-butylphenyl)-6-(prop-2-enylamino)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(allylamino)-2-(2,5-ditert-butylphenyl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2,5-ditert-butylphenyl)-6-(prop-2-enylamino)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2,5-ditert-butylphenyl)-6-(prop-2-enylamino)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-(allylamino)-2-(2,5-ditert-butylphenyl)benzo[de]isoquinoline-1,3-quinone Formula: C29H32N2O2 MolecularWeight: 440.57658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N2C(=O)C3=C4C(=C(C=C3)NCC=C)C=CC=C4C2=O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N2C(=O)C3=C4C(=C(C=C3)NCC=C)C=CC=C4C2=O

InChI

InChI=1S/C29H32N2O2/c1-8-16-30-23-15-13-21-25-19(23)10-9-11-20(25)26(32)31(27(21)33)24-17-18(28(2,3)4)12-14-22(24)29(5,6)7/h8-15,17,30H,1,16H2,2-7H3