N-[4-[4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]piperidin-1-yl]phenyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[4-[4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]piperidin-1-yl]phenyl]-2,4-dimethyl-benzamide Openeye Name: N-[4-[4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-piperidyl]phenyl]-2,4-dimethyl-benzamide CAS Name: N-[4-[4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-piperidinyl]phenyl]-2,4-dimethylbenzamide IUPAC Name: N-[4-[4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide Traditional Name: N-[4-[4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]piperidino]phenyl]-2,4-dimethyl-benzamide Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)NC(CC4=CC=CC=C4)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)N[C@@H](CC4=CC=CC=C4)C(=O)N)C

InChI

InChI=1S/C29H34N4O2/c1-20-8-13-26(21(2)18-20)29(35)32-23-9-11-25(12-10-23)33-16-14-24(15-17-33)31-27(28(30)34)19-22-6-4-3-5-7-22/h3-13,18,24,27,31H,14-17,19H2,1-2H3,(H2,30,34)(H,32,35)/t27-/m0/s1