methyl 4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-[5-(aminomethyl)-2-pyridyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-[5-(aminomethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-[5-(aminomethyl)-2-pyridyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H29N5O3 MolecularWeight: 375.46526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O3/c1-27-18(25)15-3-5-16(6-4-15)22-19(26)24-10-8-23(9-11-24)17-7-2-14(12-20)13-21-17/h2,7,13,15-16H,3-6,8-12,20H2,1H3,(H,22,26)