methyl 4-[(1R)-1-[3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]ethyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[(1R)-1-[3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]ethyl]piperazine-1-carboxylate Openeye Name: methyl 4-[(1R)-1-[3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[(1R)-1-[3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]ethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(1R)-1-[3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[(1R)-1-[3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]ethyl]piperazine-1-carboxylic acid methyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(C)N3CCN(CC3)C(=O)OC

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2)[C@@H](C)N3CCN(CC3)C(=O)OC

InChI

InChI=1S/C21H27N5O3/c1-15-7-8-19(14-22-15)24-20(27)23-18-6-4-5-17(13-18)16(2)25-9-11-26(12-10-25)21(28)29-3/h4-8,13-14,16H,9-12H2,1-3H3,(H2,23,24,27)/t16-/m1/s1