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

Systemtic Name: 2-[[4-(4-cyclohexylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]carbamoylamino]-4-phenyl-butanamide Openeye Name: 2-[[4-(4-cyclohexylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]carbamoylamino]-4-phenyl-butanamide CAS Name: 2-[[[4-(4-cyclohexyl-1-piperazinyl)-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]anilino]-oxomethyl]amino]-4-phenylbutanamide IUPAC Name: 2-[[4-(4-cyclohexylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]carbamoylamino]-4-phenylbutanamide Traditional Name: 2-[[4-(4-cyclohexylpiperazino)-3-[[(E)-3-phenylacryloyl]amino]phenyl]carbamoylamino]-4-phenyl-butyramide Formula: C36H44N6O3 MolecularWeight: 608.77296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC(CCC4=CC=CC=C4)C(=O)N)NC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC(CCC4=CC=CC=C4)C(=O)N)NC(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C36H44N6O3/c37-35(44)31(19-16-27-10-4-1-5-11-27)40-36(45)38-29-18-20-33(42-24-22-41(23-25-42)30-14-8-3-9-15-30)32(26-29)39-34(43)21-17-28-12-6-2-7-13-28/h1-2,4-7,10-13,17-18,20-21,26,30-31H,3,8-9,14-16,19,22-25H2,(H2,37,44)(H,39,43)(H2,38,40,45)/b21-17+