N-[3-methyl-4-(propanoylamino)phenyl]isoquinoline-1-carboxamide

Systemtic Name: N-[3-methyl-4-(propanoylamino)phenyl]isoquinoline-1-carboxamide Openeye Name: N-[3-methyl-4-(propanoylamino)phenyl]isoquinoline-1-carboxamide CAS Name: N-[3-methyl-4-(1-oxopropylamino)phenyl]-1-isoquinolinecarboxamide IUPAC Name: N-[3-methyl-4-(propanoylamino)phenyl]isoquinoline-1-carboxamide Traditional Name: N-(3-methyl-4-propionamido-phenyl)isoquinoline-1-carboxamide Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=NC=CC3=CC=CC=C32)C

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=NC=CC3=CC=CC=C32)C

InChI

InChI=1S/C20H19N3O2/c1-3-18(24)23-17-9-8-15(12-13(17)2)22-20(25)19-16-7-5-4-6-14(16)10-11-21-19/h4-12H,3H2,1-2H3,(H,22,25)(H,23,24)