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

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[1-[[1-[(E)-3-piperidin-3-ylprop-2-enoyl]piperidin-4-yl]methyl]piperidin-4-yl]benzamide Openeye Name: 4-amino-5-chloro-2-methoxy-N-[1-[[1-[(E)-3-(3-piperidyl)prop-2-enoyl]-4-piperidyl]methyl]-4-piperidyl]benzamide CAS Name: 4-amino-5-chloro-2-methoxy-N-[1-[[1-[(E)-1-oxo-3-(3-piperidinyl)prop-2-enyl]-4-piperidinyl]methyl]-4-piperidinyl]benzamide IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[1-[[1-[(E)-3-piperidin-3-ylprop-2-enoyl]piperidin-4-yl]methyl]piperidin-4-yl]benzamide Traditional Name: 4-amino-5-chloro-2-methoxy-N-[1-[[1-[(E)-3-(3-piperidyl)acryloyl]-4-piperidyl]methyl]-4-piperidyl]benzamide Formula: C27H40ClN5O3 MolecularWeight: 518.0912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCN(CC3)C(=O)C=CC4CCCNC4)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCN(CC3)C(=O)/C=C/C4CCCNC4)Cl)N

InChI

InChI=1S/C27H40ClN5O3/c1-36-25-16-24(29)23(28)15-22(25)27(35)31-21-8-11-32(12-9-21)18-20-6-13-33(14-7-20)26(34)5-4-19-3-2-10-30-17-19/h4-5,15-16,19-21,30H,2-3,6-14,17-18,29H2,1H3,(H,31,35)/b5-4+