(phenylmethyl) 2-[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(4-pyridyl)thiazole-4-carbonyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[oxo-(2-pyridin-4-yl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(4-pyridyl)thiazole-4-carbonyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=CC=NC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=CC=NC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c28-21(30-16-18-5-2-1-3-6-18)15-26-11-4-12-27(14-13-26)23(29)20-17-31-22(25-20)19-7-9-24-10-8-19/h1-3,5-10,17H,4,11-16H2