(3S)-3-[(4-chlorophenyl)methyl]-4-[4-[2-[1-[ethanoyl(ethyl)amino]ethyl]phenyl]piperazin-1-yl]-4-oxidanylidene-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: (3S)-3-[(4-chlorophenyl)methyl]-4-[4-[2-[1-[ethanoyl(ethyl)amino]ethyl]phenyl]piperazin-1-yl]-4-oxidanylidene-N-(pyridin-2-ylmethyl)butanamide Openeye Name: (3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]piperazin-1-yl]-3-[(4-chlorophenyl)methyl]-4-oxo-N-(2-pyridylmethyl)butanamide CAS Name: (3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-piperazinyl]-3-[(4-chlorophenyl)methyl]-4-oxo-N-(2-pyridinylmethyl)butanamide IUPAC Name: (3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]piperazin-1-yl]-3-[(4-chlorophenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide Traditional Name: (3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]piperazino]-3-(4-chlorobenzyl)-4-keto-N-(2-pyridylmethyl)butyramide Formula: C33H40ClN5O3 MolecularWeight: 590.1554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C1=CC=CC=C1N2CCN(CC2)C(=O)C(CC3=CC=C(C=C3)Cl)CC(=O)NCC4=CC=CC=N4)C(=O)C

Isomeric SMILES

CCN(C(C)C1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)CC(=O)NCC4=CC=CC=N4)C(=O)C

InChI

InChI=1S/C33H40ClN5O3/c1-4-39(25(3)40)24(2)30-10-5-6-11-31(30)37-17-19-38(20-18-37)33(42)27(21-26-12-14-28(34)15-13-26)22-32(41)36-23-29-9-7-8-16-35-29/h5-16,24,27H,4,17-23H2,1-3H3,(H,36,41)/t24?,27-/m0/s1