3-methyl-1-oxidanylidene-N-[(1S)-1-phenylpropyl]-2-(1,2,4-triazol-4-yl)isoquinoline-4-carboxamide

Systemtic Name: 3-methyl-1-oxidanylidene-N-[(1S)-1-phenylpropyl]-2-(1,2,4-triazol-4-yl)isoquinoline-4-carboxamide Openeye Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(1,2,4-triazol-4-yl)isoquinoline-4-carboxamide CAS Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(1,2,4-triazol-4-yl)-4-isoquinolinecarboxamide IUPAC Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(1,2,4-triazol-4-yl)isoquinoline-4-carboxamide Traditional Name: 1-keto-3-methyl-N-[(1S)-1-phenylpropyl]-2-(1,2,4-triazol-4-yl)isoquinoline-4-carboxamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)N4C=NN=C4)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)N4C=NN=C4)C

InChI

InChI=1S/C22H21N5O2/c1-3-19(16-9-5-4-6-10-16)25-21(28)20-15(2)27(26-13-23-24-14-26)22(29)18-12-8-7-11-17(18)20/h4-14,19H,3H2,1-2H3,(H,25,28)/t19-/m0/s1