N-[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(1S)-1-carbamoyl-3-methyl-butyl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(1S)-1-carbamoyl-3-methyl-butyl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)isoxazole-3-carboxamide Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C1=NOC(=C1)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)C1=NOC(=C1)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H26N4O3/c1-13(2)9-17(19(21)25)22-20(26)18-10-16(27-23-18)12-24-8-7-14-5-3-4-6-15(14)11-24/h3-6,10,13,17H,7-9,11-12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m0/s1