1-[4-[(4-methylphenyl)methyl]phenyl]-4-[[4-[[4-[[1-[4-[(4-methylphenyl)methyl]phenyl]-3,6-bis(oxidanylidene)azepan-4-yl]amino]phenyl]methyl]phenyl]amino]azepane-3,6-dione

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]phenyl]-4-[[4-[[4-[[1-[4-[(4-methylphenyl)methyl]phenyl]-3,6-bis(oxidanylidene)azepan-4-yl]amino]phenyl]methyl]phenyl]amino]azepane-3,6-dione Openeye Name: 4-[4-[[4-[[3,6-dioxo-1-[4-(p-tolylmethyl)phenyl]azepan-4-yl]amino]phenyl]methyl]anilino]-1-[4-(p-tolylmethyl)phenyl]azepane-3,6-dione CAS Name: 1-[4-[(4-methylphenyl)methyl]phenyl]-4-[4-[[4-[[1-[4-[(4-methylphenyl)methyl]phenyl]-3,6-dioxo-4-azepanyl]amino]phenyl]methyl]anilino]azepane-3,6-dione IUPAC Name: 1-[4-[(4-methylphenyl)methyl]phenyl]-4-[4-[[4-[[1-[4-[(4-methylphenyl)methyl]phenyl]-3,6-dioxoazepan-4-yl]amino]phenyl]methyl]anilino]azepane-3,6-dione Traditional Name: 4-[4-[4-[[3,6-diketo-1-[4-(4-methylbenzyl)phenyl]azepan-4-yl]amino]benzyl]anilino]-1-[4-(4-methylbenzyl)phenyl]azepane-3,6-quinone Formula: C53H52N4O4 MolecularWeight: 809.00438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CC=C(C=C2)N3CC(=O)CC(C(=O)C3)NC4=CC=C(C=C4)CC5=CC=C(C=C5)NC6CC(=O)CN(CC6=O)C7=CC=C(C=C7)CC8=CC=C(C=C8)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CC=C(C=C2)N3CC(=O)CC(C(=O)C3)NC4=CC=C(C=C4)CC5=CC=C(C=C5)NC6CC(=O)CN(CC6=O)C7=CC=C(C=C7)CC8=CC=C(C=C8)C

InChI

InChI=1S/C53H52N4O4/c1-36-3-7-38(8-4-36)27-42-15-23-46(24-16-42)56-32-48(58)30-50(52(60)34-56)54-44-19-11-40(12-20-44)29-41-13-21-45(22-14-41)55-51-31-49(59)33-57(35-53(51)61)47-25-17-43(18-26-47)28-39-9-5-37(2)6-10-39/h3-26,50-51,54-55H,27-35H2,1-2H3