1-(4-fluorophenyl)-4-(1-isoquinolin-3-yl-1,2-diazepan-4-yl)butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-(1-isoquinolin-3-yl-1,2-diazepan-4-yl)butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[1-(3-isoquinolyl)diazepan-4-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[1-(3-isoquinolinyl)-4-diazepanyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(1-isoquinolin-3-yldiazepan-4-yl)butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[1-(3-isoquinolyl)diazepan-4-yl]butan-1-one Formula: C24H26FN3O MolecularWeight: 391.481143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNN(C1)C2=CC3=CC=CC=C3C=N2)CCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC(CNN(C1)C2=CC3=CC=CC=C3C=N2)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O/c25-22-12-10-19(11-13-22)23(29)9-3-5-18-6-4-14-28(27-16-18)24-15-20-7-1-2-8-21(20)17-26-24/h1-2,7-8,10-13,15,17-18,27H,3-6,9,14,16H2