(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-cyanobenzyl)piperazino]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H32N4O/c1-18(2)23-7-5-6-19(3)24(23)27-25(30)20(4)29-14-12-28(13-15-29)17-22-10-8-21(16-26)9-11-22/h5-11,18,20H,12-15,17H2,1-4H3,(H,27,30)/t20-/m0/s1