3-[4-[2-(3-methylphenyl)ethanoylamino]pyrazol-1-yl]-N-[(2S)-3-oxidanyl-3-prop-2-enyl-hex-5-en-2-yl]benzamide

Systemtic Name: 3-[4-[2-(3-methylphenyl)ethanoylamino]pyrazol-1-yl]-N-[(2S)-3-oxidanyl-3-prop-2-enyl-hex-5-en-2-yl]benzamide Openeye Name: N-[(1S)-2-allyl-2-hydroxy-1-methyl-pent-4-enyl]-3-[4-[[2-(m-tolyl)acetyl]amino]pyrazol-1-yl]benzamide CAS Name: N-[(2S)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-[4-[[2-(3-methylphenyl)-1-oxoethyl]amino]-1-pyrazolyl]benzamide IUPAC Name: N-[(2S)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide Traditional Name: N-[(1S)-2-allyl-2-hydroxy-1-methyl-pent-4-enyl]-3-[4-[[2-(m-tolyl)acetyl]amino]pyrazol-1-yl]benzamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)NC2=CN(N=C2)C3=CC=CC(=C3)C(=O)NC(C)C(CC=C)(CC=C)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)NC2=CN(N=C2)C3=CC=CC(=C3)C(=O)N[C@@H](C)C(CC=C)(CC=C)O

InChI

InChI=1S/C28H32N4O3/c1-5-13-28(35,14-6-2)21(4)30-27(34)23-11-8-12-25(17-23)32-19-24(18-29-32)31-26(33)16-22-10-7-9-20(3)15-22/h5-12,15,17-19,21,35H,1-2,13-14,16H2,3-4H3,(H,30,34)(H,31,33)/t21-/m0/s1