N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]pyridine-2-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide Traditional Name: N-(4-isopropoxybenzyl)-N-[(3S)-2-ketoazepan-3-yl]picolinamide Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C22H27N3O3/c1-16(2)28-18-11-9-17(10-12-18)15-25(20-8-4-6-14-24-21(20)26)22(27)19-7-3-5-13-23-19/h3,5,7,9-13,16,20H,4,6,8,14-15H2,1-2H3,(H,24,26)/t20-/m0/s1