(3S)-2-[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(4-chloro-2-methyl-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O2/c1-12-8-15(20)6-7-16(12)22-18(24)11-23-10-14-5-3-2-4-13(14)9-17(23)19(21)25/h2-8,17H,9-11H2,1H3,(H2,21,25)(H,22,24)/t17-/m0/s1