methyl 3-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(4-cyanobenzyl)piperazino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O3/c1-17-3-8-20(23(29)30-2)13-21(17)25-22(28)16-27-11-9-26(10-12-27)15-19-6-4-18(14-24)5-7-19/h3-8,13H,9-12,15-16H2,1-2H3,(H,25,28)