1,3-dimethyl-4-(4-phenyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-5-one

Systemtic Name: 1,3-dimethyl-4-(4-phenyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-5-one Openeye Name: 1,3-dimethyl-4-[4-phenyl-5-(4-pyridyl)thiazol-2-yl]-1,4-diazepan-5-one CAS Name: 1,3-dimethyl-4-(4-phenyl-5-pyridin-4-yl-2-thiazolyl)-1,4-diazepan-5-one IUPAC Name: 1,3-dimethyl-4-(4-phenyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-5-one Traditional Name: 1,3-dimethyl-4-[4-phenyl-5-(4-pyridyl)thiazol-2-yl]-1,4-diazepan-5-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC(=O)N1C2=NC(=C(S2)C3=CC=NC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CN(CCC(=O)N1C2=NC(=C(S2)C3=CC=NC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H22N4OS/c1-15-14-24(2)13-10-18(26)25(15)21-23-19(16-6-4-3-5-7-16)20(27-21)17-8-11-22-12-9-17/h3-9,11-12,15H,10,13-14H2,1-2H3