2-[[4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]phenyl]methyl]-3-methyl-naphthalene-1,4-dione

Systemtic Name: 2-[[4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]phenyl]methyl]-3-methyl-naphthalene-1,4-dione Openeye Name: 2-[[4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]phenyl]methyl]-3-methyl-naphthalene-1,4-dione CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]phenyl]methyl]-3-methylnaphthalene-1,4-dione IUPAC Name: 2-[[4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]phenyl]methyl]-3-methylnaphthalene-1,4-dione Traditional Name: 2-[4-[4-(4-tert-butylbenzyl)piperazino]benzyl]-3-methyl-1,4-naphthoquinone Formula: C33H36N2O2 MolecularWeight: 492.65114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C33H36N2O2/c1-23-30(32(37)29-8-6-5-7-28(29)31(23)36)21-24-11-15-27(16-12-24)35-19-17-34(18-20-35)22-25-9-13-26(14-10-25)33(2,3)4/h5-16H,17-22H2,1-4H3