N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]methyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]methyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]methyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]methyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]methyl]-2-pyrazol-1-yl-propionamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(N=CC=C1)N2CCC3=CC=CC=C3C2)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NCC1=C(N=CC=C1)N2CCC3=CC=CC=C3C2)N4C=CC=N4

InChI

InChI=1S/C21H23N5O/c1-16(26-12-5-11-24-26)21(27)23-14-18-8-4-10-22-20(18)25-13-9-17-6-2-3-7-19(17)15-25/h2-8,10-12,16H,9,13-15H2,1H3,(H,23,27)