2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: 2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: 2-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 2-[(2S)-1-amino-1-oxopropan-2-yl]-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 2-[(2S)-1-amino-1-oxopropan-2-yl]-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 2-[(1S)-2-amino-2-keto-1-methyl-ethyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-keto-isoquinoline-5-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC3=C2C=CN(C3=O)C(C)C(=O)N

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC3=C2C=CN(C3=O)[C@@H](C)C(=O)N

InChI

InChI=1S/C21H20ClN3O3/c1-12(14-6-8-15(22)9-7-14)24-20(27)17-4-3-5-18-16(17)10-11-25(21(18)28)13(2)19(23)26/h3-13H,1-2H3,(H2,23,26)(H,24,27)/t12-,13+/m1/s1