N-[2-[5-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]ethanamide

Systemtic Name: N-[2-[5-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]ethanamide Openeye Name: N-[2-[5-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]acetamide CAS Name: N-[2-[5-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]acetamide IUPAC Name: N-[2-[5-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]acetamide Traditional Name: N-[2-[5-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]acetamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=CC=CC3=C2CCN(C3)CCNC(=O)C

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=CC=CC3=C2CCN(C3)CCNC(=O)C

InChI

InChI=1S/C21H27N5O2/c1-15-6-7-19(13-23-15)25-21(28)24-12-17-4-3-5-18-14-26(10-8-20(17)18)11-9-22-16(2)27/h3-7,13H,8-12,14H2,1-2H3,(H,22,27)(H2,24,25,28)