3-cyclohexyl-2-[[4-(4-cyclohexylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]carbamoylamino]propanamide

Systemtic Name: 3-cyclohexyl-2-[[4-(4-cyclohexylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]carbamoylamino]propanamide Openeye Name: 3-cyclohexyl-2-[[4-(4-cyclohexylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]carbamoylamino]propanamide CAS Name: 3-cyclohexyl-2-[[[4-(4-cyclohexyl-1-piperazinyl)-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]anilino]-oxomethyl]amino]propanamide IUPAC Name: 3-cyclohexyl-2-[[4-(4-cyclohexylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]carbamoylamino]propanamide Traditional Name: 3-cyclohexyl-2-[[4-(4-cyclohexylpiperazino)-3-[[(E)-3-phenylacryloyl]amino]phenyl]carbamoylamino]propionamide Formula: C35H48N6O3 MolecularWeight: 600.79402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4CCCCC4)NC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N)NC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4CCCCC4)NC(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C35H48N6O3/c36-34(43)31(24-27-12-6-2-7-13-27)39-35(44)37-28-17-18-32(41-22-20-40(21-23-41)29-14-8-3-9-15-29)30(25-28)38-33(42)19-16-26-10-4-1-5-11-26/h1,4-5,10-11,16-19,25,27,29,31H,2-3,6-9,12-15,20-24H2,(H2,36,43)(H,38,42)(H2,37,39,44)/b19-16+