3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-hydroxyphenyl)methyl]-N-methyl-N-phenyl-benzamide

Systemtic Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-hydroxyphenyl)methyl]-N-methyl-N-phenyl-benzamide Openeye Name: 3-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-hydroxyphenyl)methyl]-N-methyl-N-phenyl-benzamide CAS Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-hydroxyphenyl)methyl]-N-methyl-N-phenylbenzamide IUPAC Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N-methyl-N-phenylbenzamide Traditional Name: 3-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-(3-hydroxyphenyl)methyl]-N-methyl-N-phenyl-benzamide Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CC(=C3)C(=O)N(C)C4=CC=CC=C4)C)CC=C

Isomeric SMILES

C[C@H]1CN([C@@H](CN1[C@H](C2=CC(=CC=C2)O)C3=CC=CC(=C3)C(=O)N(C)C4=CC=CC=C4)C)CC=C

InChI

InChI=1S/C30H35N3O2/c1-5-17-32-20-23(3)33(21-22(32)2)29(25-12-10-16-28(34)19-25)24-11-9-13-26(18-24)30(35)31(4)27-14-7-6-8-15-27/h5-16,18-19,22-23,29,34H,1,17,20-21H2,2-4H3/t22-,23+,29+/m1/s1