[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methyl-phenyl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methyl-phenyl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methyl-phenyl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methylphenyl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methylphenyl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-(3-methoxy-4-methyl-phenyl)methanone Formula: C21H25FN2O2 MolecularWeight: 356.433803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H25FN2O2/c1-16-4-7-18(14-20(16)26-2)21(25)24-11-3-10-23(12-13-24)15-17-5-8-19(22)9-6-17/h4-9,14H,3,10-13,15H2,1-2H3