3-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3-methyl-4H-isochromen-1-one

Systemtic Name: 3-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3-methyl-4H-isochromen-1-one Openeye Name: 3-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: 3-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: 3-[4-(4-fluorobenzyl)-1,4-diazepane-1-carbonyl]-3-methyl-isochroman-1-one Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2O3/c1-23(15-18-5-2-3-6-20(18)21(27)29-23)22(28)26-12-4-11-25(13-14-26)16-17-7-9-19(24)10-8-17/h2-3,5-10H,4,11-16H2,1H3