2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazinyl]-N-[[4-(1-pyrazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-2-yl]-N-(4-pyrazol-1-ylbenzyl)acetamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)NCC3=CC=C(C=C3)N4C=CC=N4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCNC(=O)[C@H]2CC(=O)NCC3=CC=C(C=C3)N4C=CC=N4)OC

InChI

InChI=1S/C25H29N5O3/c1-18-14-20(6-9-23(18)33-2)17-29-13-11-26-25(32)22(29)15-24(31)27-16-19-4-7-21(8-5-19)30-12-3-10-28-30/h3-10,12,14,22H,11,13,15-17H2,1-2H3,(H,26,32)(H,27,31)/t22-/m1/s1