(2S)-2-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]ethanoylamino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]ethanoylamino]-3-phenyl-propanamide Openeye Name: (2S)-2-[[2-[1-[(4-imidazol-1-ylphenyl)methyl]-4-piperidyl]acetyl]amino]-3-phenyl-propanamide CAS Name: (2S)-2-[[2-[1-[[4-(1-imidazolyl)phenyl]methyl]-4-piperidinyl]-1-oxoethyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-2-[[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]acetyl]amino]-3-phenylpropanamide Traditional Name: (2S)-2-[[2-[1-(4-imidazol-1-ylbenzyl)-4-piperidyl]acetyl]amino]-3-phenyl-propionamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)NC(CC2=CC=CC=C2)C(=O)N)CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CN(CCC1CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)CC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C26H31N5O2/c27-26(33)24(16-20-4-2-1-3-5-20)29-25(32)17-21-10-13-30(14-11-21)18-22-6-8-23(9-7-22)31-15-12-28-19-31/h1-9,12,15,19,21,24H,10-11,13-14,16-18H2,(H2,27,33)(H,29,32)/t24-/m0/s1