propan-2-yl 4-[[4-[4-(aminomethyl)phenyl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: propan-2-yl 4-[[4-[4-(aminomethyl)phenyl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: isopropyl 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-[4-(aminomethyl)phenyl]-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3/c1-16(2)29-21(27)18-5-7-19(8-6-18)24-22(28)26-13-11-25(12-14-26)20-9-3-17(15-23)4-10-20/h3-4,9-10,16,18-19H,5-8,11-15,23H2,1-2H3,(H,24,28)