4-[3-butyl-4-(diphenylmethyl)piperazin-1-yl]benzene-1,2-diol; 1H-pyridin-2-one

Systemtic Name: 4-[3-butyl-4-(diphenylmethyl)piperazin-1-yl]benzene-1,2-diol; 1H-pyridin-2-one Openeye Name: 4-(4-benzhydryl-3-butyl-piperazin-1-yl)benzene-1,2-diol; 1H-pyridin-2-one CAS Name: 4-[3-butyl-4-(diphenylmethyl)-1-piperazinyl]benzene-1,2-diol; 1H-pyridin-2-one IUPAC Name: 4-(4-benzhydryl-3-butylpiperazin-1-yl)benzene-1,2-diol; 1H-pyridin-2-one Traditional Name: 4-(4-benzhydryl-3-butyl-piperazino)pyrocatechol; 2-pyridone Formula: C32H37N3O3 MolecularWeight: 511.65448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)O)O.C1=CC(=O)NC=C1

Isomeric SMILES

CCCCC1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)O)O.C1=CC(=O)NC=C1

InChI

InChI=1S/C27H32N2O2.C5H5NO/c1-2-3-14-24-20-28(23-15-16-25(30)26(31)19-23)17-18-29(24)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22;7-5-3-1-2-4-6-5/h4-13,15-16,19,24,27,30-31H,2-3,14,17-18,20H2,1H3;1-4H,(H,6,7)