[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylquinolin-4-yl)methanone

Systemtic Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenyl-4-quinolyl)methanone CAS Name: [4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylquinolin-4-yl)methanone Traditional Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenyl-4-quinolyl)methanone Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c1-19-16-21(28-32-19)18-29-12-7-13-30(15-14-29)26(31)23-17-25(20-8-3-2-4-9-20)27-24-11-6-5-10-22(23)24/h2-6,8-11,16-17H,7,12-15,18H2,1H3