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

Systemtic Name: 3-methyl-1-oxidanylidene-N-[(1S)-1-phenylpropyl]-2-pyridin-3-yl-isoquinoline-4-carboxamide Openeye Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(3-pyridyl)isoquinoline-4-carboxamide CAS Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(3-pyridinyl)-4-isoquinolinecarboxamide IUPAC Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-pyridin-3-ylisoquinoline-4-carboxamide Traditional Name: 1-keto-3-methyl-N-[(1S)-1-phenylpropyl]-2-(3-pyridyl)isoquinoline-4-carboxamide Formula: C25H23N3O2 MolecularWeight: 397.46902

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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)C4=CN=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2/c1-3-22(18-10-5-4-6-11-18)27-24(29)23-17(2)28(19-12-9-15-26-16-19)25(30)21-14-8-7-13-20(21)23/h4-16,22H,3H2,1-2H3,(H,27,29)/t22-/m0/s1