methyl 4-[2-[3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]ethyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-[3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]ethyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-[3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]ethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]ethyl]piperazine-1-carboxylic acid methyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=CC=CC(=C2)CCN3CCN(CC3)C(=O)OC

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=CC=CC(=C2)CCN3CCN(CC3)C(=O)OC

InChI

InChI=1S/C22H29N5O3/c1-17-6-7-20(16-23-17)25-21(28)24-15-19-5-3-4-18(14-19)8-9-26-10-12-27(13-11-26)22(29)30-2/h3-7,14,16H,8-13,15H2,1-2H3,(H2,24,25,28)