[(2R,6S)-2,6-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-piperazin-1-yl]-phenyl-methanone

Systemtic Name: [(2R,6S)-2,6-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-piperazin-1-yl]-phenyl-methanone Openeye Name: [(2R,6S)-2,6-dimethyl-4-[4-[3-(1-piperidyl)propoxy]benzoyl]piperazin-1-yl]-phenyl-methanone CAS Name: [(2R,6S)-2,6-dimethyl-4-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [(2R,6S)-2,6-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]-phenylmethanone Traditional Name: [(2R,6S)-2,6-dimethyl-4-[4-(3-piperidinopropoxy)benzoyl]piperazino]-phenyl-methanone Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C2=CC=CC=C2)C)C(=O)C3=CC=C(C=C3)OCCCN4CCCCC4

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C(=O)C2=CC=CC=C2)C)C(=O)C3=CC=C(C=C3)OCCCN4CCCCC4

InChI

InChI=1S/C28H37N3O3/c1-22-20-30(21-23(2)31(22)28(33)24-10-5-3-6-11-24)27(32)25-12-14-26(15-13-25)34-19-9-18-29-16-7-4-8-17-29/h3,5-6,10-15,22-23H,4,7-9,16-21H2,1-2H3/t22-,23+