2-[3-(aminomethyl)-2,4-diethyl-phenyl]-4-[[2-[3-(aminomethyl)-2,4-diethyl-phenyl]-1,3-bis(oxidanylidene)isoindol-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(aminomethyl)-2,4-diethyl-phenyl]-4-[[2-[3-(aminomethyl)-2,4-diethyl-phenyl]-1,3-bis(oxidanylidene)isoindol-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[3-(aminomethyl)-2,4-diethyl-phenyl]-4-[[2-[3-(aminomethyl)-2,4-diethyl-phenyl]-1,3-dioxo-isoindolin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[3-(aminomethyl)-2,4-diethylphenyl]-4-[[2-[3-(aminomethyl)-2,4-diethylphenyl]-1,3-dioxo-4-isoindolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[3-(aminomethyl)-2,4-diethylphenyl]-4-[[2-[3-(aminomethyl)-2,4-diethylphenyl]-1,3-dioxoisoindol-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(aminomethyl)-2,4-diethyl-phenyl]-4-[[2-[3-(aminomethyl)-2,4-diethyl-phenyl]-1,3-diketo-isoindolin-4-yl]methyl]isoindoline-1,3-quinone Formula: C39H40N4O4 MolecularWeight: 628.7593

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)CC4=CC=CC5=C4C(=O)N(C5=O)C6=C(C(=C(C=C6)CC)CN)CC)CC)CN

Isomeric SMILES

CCC1=C(C(=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)CC4=CC=CC5=C4C(=O)N(C5=O)C6=C(C(=C(C=C6)CC)CN)CC)CC)CN

InChI

InChI=1S/C39H40N4O4/c1-5-22-15-17-32(26(7-3)30(22)20-40)42-36(44)28-13-9-11-24(34(28)38(42)46)19-25-12-10-14-29-35(25)39(47)43(37(29)45)33-18-16-23(6-2)31(21-41)27(33)8-4/h9-18H,5-8,19-21,40-41H2,1-4H3