3-(4-fluorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

Systemtic Name: 3-(4-fluorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide Openeye Name: 3-(4-fluorophenyl)-N-[(4-isopropoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-(4-fluorophenyl)-N-[(3S)-2-oxo-3-azepanyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide IUPAC Name: 3-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide Traditional Name: 3-(4-fluorophenyl)-N-(4-isopropoxybenzyl)-N-[(3S)-2-ketoazepan-3-yl]benzamide Formula: C29H31FN2O3 MolecularWeight: 474.566443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31FN2O3/c1-20(2)35-26-15-9-21(10-16-26)19-32(27-8-3-4-17-31-28(27)33)29(34)24-7-5-6-23(18-24)22-11-13-25(30)14-12-22/h5-7,9-16,18,20,27H,3-4,8,17,19H2,1-2H3,(H,31,33)/t27-/m0/s1