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methyl 3-azanyl-4-[[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]amino]benzoate

methyl 3-azanyl-4-[[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]amino]benzoate

Systemtic Name:methyl 3-azanyl-4-[[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]amino]benzoate
Openeye Name:methyl 3-amino-4-[3-[4-(cyanomethyl)piperazin-1-yl]anilino]benzoate
CAS Name:3-amino-4-[3-[4-(cyanomethyl)-1-piperazinyl]anilino]benzoic acid methyl ester
IUPAC Name:methyl 3-amino-4-[3-[4-(cyanomethyl)piperazin-1-yl]anilino]benzoate
Traditional Name:3-amino-4-[3-[4-(cyanomethyl)piperazino]anilino]benzoic acid methyl ester
Formula: C20H23N5O2
MolecularWeight: 365.42892
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC#N)N


Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC#N)N


InChI

InChI=1S/C20H23N5O2/c1-27-20(26)15-5-6-19(18(22)13-15)23-16-3-2-4-17(14-16)25-11-9-24(8-7-21)10-12-25/h2-6,13-14,23H,8-12,22H2,1H3


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