4-azanyl-5-chloranyl-N-[1-[[1-[(E)-3-imidazol-1-ylprop-2-enoyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxy-benzamide

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[[1-[(E)-3-imidazol-1-ylprop-2-enoyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxy-benzamide Openeye Name: 4-amino-5-chloro-N-[1-[[1-[(E)-3-imidazol-1-ylprop-2-enoyl]-4-piperidyl]methyl]-4-piperidyl]-2-methoxy-benzamide CAS Name: 4-amino-5-chloro-N-[1-[[1-[(E)-3-(1-imidazolyl)-1-oxoprop-2-enyl]-4-piperidinyl]methyl]-4-piperidinyl]-2-methoxybenzamide IUPAC Name: 4-amino-5-chloro-N-[1-[[1-[(E)-3-imidazol-1-ylprop-2-enoyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide Traditional Name: 4-amino-5-chloro-N-[1-[[1-[(E)-3-imidazol-1-ylacryloyl]-4-piperidyl]methyl]-4-piperidyl]-2-methoxy-benzamide Formula: C25H33ClN6O3 MolecularWeight: 501.02092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCN(CC3)C(=O)C=CN4C=CN=C4)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCN(CC3)C(=O)/C=C/N4C=CN=C4)Cl)N

InChI

InChI=1S/C25H33ClN6O3/c1-35-23-15-22(27)21(26)14-20(23)25(34)29-19-4-8-30(9-5-19)16-18-2-11-32(12-3-18)24(33)6-10-31-13-7-28-17-31/h6-7,10,13-15,17-19H,2-5,8-9,11-12,16,27H2,1H3,(H,29,34)/b10-6+