3-methyl-1-oxidanylidene-N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylamino)isoquinoline-4-carboxamide

Systemtic Name: 3-methyl-1-oxidanylidene-N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylamino)isoquinoline-4-carboxamide Openeye Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(2-pyridylamino)isoquinoline-4-carboxamide CAS Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(2-pyridinylamino)-4-isoquinolinecarboxamide IUPAC Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylamino)isoquinoline-4-carboxamide Traditional Name: 1-keto-3-methyl-N-[(1S)-1-phenylpropyl]-2-(2-pyridylamino)isoquinoline-4-carboxamide Formula: C25H24N4O2 MolecularWeight: 412.48366

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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)NC4=CC=CC=N4)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)NC4=CC=CC=N4)C

InChI

InChI=1S/C25H24N4O2/c1-3-21(18-11-5-4-6-12-18)27-24(30)23-17(2)29(28-22-15-9-10-16-26-22)25(31)20-14-8-7-13-19(20)23/h4-16,21H,3H2,1-2H3,(H,26,28)(H,27,30)/t21-/m0/s1