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

Systemtic Name: (3S)-2-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CC1=NOC(=C1)NC(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C16H18N4O3/c1-10-6-15(23-19-10)18-14(21)9-20-8-12-5-3-2-4-11(12)7-13(20)16(17)22/h2-6,13H,7-9H2,1H3,(H2,17,22)(H,18,21)/t13-/m0/s1