(3S)-2-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H17BrN4O2 MolecularWeight: 389.24648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC(=O)NC3=NC=C(C=C3)Br)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC(=O)NC3=NC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C17H17BrN4O2/c18-13-5-6-15(20-8-13)21-16(23)10-22-9-12-4-2-1-3-11(12)7-14(22)17(19)24/h1-6,8,14H,7,9-10H2,(H2,19,24)(H,20,21,23)/t14-/m0/s1