1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-4-phenyl-butane-1,4-dione

Systemtic Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-3-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]-4-phenyl-butane-1,4-dione CAS Name: 1-[4-[(2-methyl-4-thiazolyl)methyl]-3-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[3-keto-4-[(2-methylthiazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]-4-phenyl-butane-1,4-dione Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CC(CN(CC2=O)C(=O)CCC(=O)C3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

CC1=NC(=CS1)CN2CC(CN(CC2=O)C(=O)CCC(=O)C3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C26H28N4O4S/c1-19-28-22(18-35-19)13-29-14-23(34-17-20-9-11-27-12-10-20)15-30(16-26(29)33)25(32)8-7-24(31)21-5-3-2-4-6-21/h2-6,9-12,18,23H,7-8,13-17H2,1H3