methyl 4-[[4-[4-(aminomethyl)phenyl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-[4-(aminomethyl)phenyl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-[4-(aminomethyl)phenyl]-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C20H30N4O3/c1-27-19(25)16-4-6-17(7-5-16)22-20(26)24-12-10-23(11-13-24)18-8-2-15(14-21)3-9-18/h2-3,8-9,16-17H,4-7,10-14,21H2,1H3,(H,22,26)