N-[2-azanyl-6-methyl-1,3-bis(oxidanylidene)-1-(3-pyridin-2-ylphenyl)heptan-4-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[2-azanyl-6-methyl-1,3-bis(oxidanylidene)-1-(3-pyridin-2-ylphenyl)heptan-4-yl]isoquinoline-3-carboxamide Openeye Name: N-[3-amino-1-isobutyl-2,4-dioxo-4-[3-(2-pyridyl)phenyl]butyl]isoquinoline-3-carboxamide CAS Name: N-[2-amino-6-methyl-1,3-dioxo-1-[3-(2-pyridinyl)phenyl]heptan-4-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[2-amino-6-methyl-1,3-dioxo-1-(3-pyridin-2-ylphenyl)heptan-4-yl]isoquinoline-3-carboxamide Traditional Name: N-[3-amino-1-isobutyl-2,4-diketo-4-[3-(2-pyridyl)phenyl]butyl]isoquinoline-3-carboxamide Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(=O)C1=CC=CC(=C1)C2=CC=CC=N2)N)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)CC(C(=O)C(C(=O)C1=CC=CC(=C1)C2=CC=CC=N2)N)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C29H28N4O3/c1-18(2)14-24(33-29(36)25-16-19-8-3-4-9-22(19)17-32-25)28(35)26(30)27(34)21-11-7-10-20(15-21)23-12-5-6-13-31-23/h3-13,15-18,24,26H,14,30H2,1-2H3,(H,33,36)