(3S)-2-[3-(1,3-benzoxazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[3-(1,3-benzoxazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(1,3-benzoxazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[3-(1,3-benzoxazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(1,3-benzoxazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[3-(1,3-benzoxazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CCCC3=NC4=CC=CC=C4O3)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CCCC3=NC4=CC=CC=C4O3)C(=O)N

InChI

InChI=1S/C20H21N3O2/c21-20(24)17-12-14-6-1-2-7-15(14)13-23(17)11-5-10-19-22-16-8-3-4-9-18(16)25-19/h1-4,6-9,17H,5,10-13H2,(H2,21,24)/t17-/m0/s1