N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[3-(2-chloroallyloxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[3-(2-chloroallyloxy)-4-methoxy-benzyl]-N-[(3S)-2-ketoazepan-3-yl]-4-pyrazol-1-yl-benzamide Formula: C27H29ClN4O4 MolecularWeight: 508.99656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=CC=C(C=C3)N4C=CC=N4)OCC(=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=C(C=C3)N4C=CC=N4)OCC(=C)Cl

InChI

InChI=1S/C27H29ClN4O4/c1-19(28)18-36-25-16-20(7-12-24(25)35-2)17-31(23-6-3-4-13-29-26(23)33)27(34)21-8-10-22(11-9-21)32-15-5-14-30-32/h5,7-12,14-16,23H,1,3-4,6,13,17-18H2,2H3,(H,29,33)/t23-/m0/s1