N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-2,5-dimethyl-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-3-carboxamide

Systemtic Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-2,5-dimethyl-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-3-carboxamide Openeye Name: N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-2,5-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide CAS Name: N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-2,5-dimethyl-N-[(3S)-2-oxo-3-azepanyl]-3-pyrazolecarboxamide IUPAC Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-2,5-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C27H33N5O4 MolecularWeight: 491.58202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC2=CC(=C(C=C2)OCCC3=CC=CC=N3)OC)C4CCCCNC4=O)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC2=CC(=C(C=C2)OCCC3=CC=CC=N3)OC)[C@H]4CCCCNC4=O)C

InChI

InChI=1S/C27H33N5O4/c1-19-16-23(31(2)30-19)27(34)32(22-9-5-7-14-29-26(22)33)18-20-10-11-24(25(17-20)35-3)36-15-12-21-8-4-6-13-28-21/h4,6,8,10-11,13,16-17,22H,5,7,9,12,14-15,18H2,1-3H3,(H,29,33)/t22-/m0/s1