3-[(2,5-dimethyl-4-prop-2-ynyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethyl-benzamide

Systemtic Name: 3-[(2,5-dimethyl-4-prop-2-ynyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethyl-benzamide Openeye Name: 3-[(2,5-dimethyl-4-prop-2-ynyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethyl-benzamide CAS Name: 3-[(2,5-dimethyl-4-prop-2-ynyl-1-piperazinyl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide IUPAC Name: 3-[(2,5-dimethyl-4-prop-2-ynylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide Traditional Name: 3-[(2,5-dimethyl-4-propargyl-piperazino)-(3-hydroxyphenyl)methyl]-N,N-diethyl-benzamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)C(C2=CC(=CC=C2)O)N3CC(N(CC3C)CC#C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)C(C2=CC(=CC=C2)O)N3CC(N(CC3C)CC#C)C

InChI

InChI=1S/C27H35N3O2/c1-6-15-29-18-21(5)30(19-20(29)4)26(23-12-10-14-25(31)17-23)22-11-9-13-24(16-22)27(32)28(7-2)8-3/h1,9-14,16-17,20-21,26,31H,7-8,15,18-19H2,2-5H3