1-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-3-yl]-2-(2H-1,3-benzoxazol-3-yl)piperidin-3-one

Systemtic Name: 1-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-3-yl]-2-(2H-1,3-benzoxazol-3-yl)piperidin-3-one Openeye Name: 1-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(oxomethylene)-4-(4-pyridyl)-3-piperidyl]-2-(2H-1,3-benzoxazol-3-yl)piperidin-3-one CAS Name: 1-[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-(oxomethylidene)-4-pyridin-4-yl-3-piperidinyl]-2-(2H-1,3-benzoxazol-3-yl)-3-piperidinone IUPAC Name: 1-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(oxomethylidene)-4-pyridin-4-ylpiperidin-3-yl]-2-(2H-1,3-benzoxazol-3-yl)piperidin-3-one Traditional Name: 2-(2H-1,3-benzoxazol-3-yl)-1-[2-(ketomethylene)-4-(4-pyridyl)-1-tyrosyl-3-piperidyl]-3-piperidone Formula: C32H33N5O5 MolecularWeight: 567.63492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(N(C1)C2C(CCN(C2=C=O)C(=O)C(CC3=CC=C(C=C3)O)N)C4=CC=NC=C4)N5COC6=CC=CC=C65

Isomeric SMILES

C1CC(=O)C(N(C1)C2C(CCN(C2=C=O)C(=O)C(CC3=CC=C(C=C3)O)N)C4=CC=NC=C4)N5COC6=CC=CC=C65

InChI

InChI=1S/C32H33N5O5/c33-25(18-21-7-9-23(39)10-8-21)32(41)35-17-13-24(22-11-14-34-15-12-22)30(27(35)19-38)36-16-3-5-28(40)31(36)37-20-42-29-6-2-1-4-26(29)37/h1-2,4,6-12,14-15,24-25,30-31,39H,3,5,13,16-18,20,33H2