[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylquinolin-4-yl)methanone

Systemtic Name: [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: [4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenyl-4-quinolyl)methanone CAS Name: [4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylquinolin-4-yl)methanone Traditional Name: [4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenyl-4-quinolyl)methanone Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c1-19-27-21(18-32-19)17-29-12-7-13-30(15-14-29)26(31)23-16-25(20-8-3-2-4-9-20)28-24-11-6-5-10-22(23)24/h2-6,8-11,16,18H,7,12-15,17H2,1H3