(3S)-2-ethanoyl-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethanoyl-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-acetyl-N-[2-(2-ethylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-acetyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-acetyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-acetyl-N-[2-(2-ethylanilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CC3=CC=CC=C3CN2C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C

InChI

InChI=1S/C22H25N3O3/c1-3-16-8-6-7-11-19(16)24-21(27)13-23-22(28)20-12-17-9-4-5-10-18(17)14-25(20)15(2)26/h4-11,20H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)/t20-/m0/s1