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

Systemtic Name: 3-[1-[4-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(oxomethylene)-1-(4-pyridyl)piperazin-2-yl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[4-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-(oxomethylidene)-1-pyridin-4-yl-2-piperazinyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(oxomethylidene)-1-pyridin-4-ylpiperazin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[3-(ketomethylene)-1-(4-pyridyl)-4-tyrosyl-piperazin-2-yl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C31H33N7O4 MolecularWeight: 567.63822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4C(=C=O)N(CCN4C5=CC=NC=C5)C(=O)C(CC6=CC=C(C=C6)O)N

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4C(=C=O)N(CCN4C5=CC=NC=C5)C(=O)C(CC6=CC=C(C=C6)O)N

InChI

InChI=1S/C31H33N7O4/c32-25(19-21-5-7-24(40)8-6-21)30(41)37-18-17-36(22-9-13-33-14-10-22)29(28(37)20-39)35-15-11-23(12-16-35)38-27-4-2-1-3-26(27)34-31(38)42/h1-10,13-14,23,25,29,40H,11-12,15-19,32H2,(H,34,42)