N,N-diethyl-4-[(3-methoxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide; ethanedioic acid

Systemtic Name: N,N-diethyl-4-[(3-methoxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide; ethanedioic acid Openeye Name: 4-[(4-allylpiperazin-1-yl)-(3-methoxyphenyl)methyl]-N,N-diethyl-benzamide; oxalic acid CAS Name: N,N-diethyl-4-[(3-methoxyphenyl)-(4-prop-2-enyl-1-piperazinyl)methyl]benzamide; oxalic acid IUPAC Name: N,N-diethyl-4-[(3-methoxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide; oxalic acid Traditional Name: 4-[(4-allylpiperazino)-(3-methoxyphenyl)methyl]-N,N-diethyl-benzamide; oxalic acid Formula: C28H37N3O6 MolecularWeight: 511.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCN(CC3)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCN(CC3)CC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H35N3O2.C2H2O4/c1-5-15-27-16-18-29(19-17-27)25(23-9-8-10-24(20-23)31-4)21-11-13-22(14-12-21)26(30)28(6-2)7-3;3-1(4)2(5)6/h5,8-14,20,25H,1,6-7,15-19H2,2-4H3;(H,3,4)(H,5,6)