1-(isocyanomethyl)-2,6-dimethyl-3-(phenylcarbonyl)-4H-pyrrolo[3,2-b]pyridin-7-one

Systemtic Name: 1-(isocyanomethyl)-2,6-dimethyl-3-(phenylcarbonyl)-4H-pyrrolo[3,2-b]pyridin-7-one Openeye Name: 3-benzoyl-1-(isocyanomethyl)-2,6-dimethyl-4H-pyrrolo[3,2-b]pyridin-7-one CAS Name: 3-benzoyl-1-(isocyanomethyl)-2,6-dimethyl-4H-pyrrolo[3,2-b]pyridin-7-one IUPAC Name: 3-benzoyl-1-(isocyanomethyl)-2,6-dimethyl-4H-pyrrolo[3,2-b]pyridin-7-one Traditional Name: 3-benzoyl-1-(isocyanomethyl)-2,6-dimethyl-4H-pyrrolo[3,2-b]pyridin-7-one Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C(C1=O)N(C(=C2C(=O)C3=CC=CC=C3)C)C[N+]#[C-]

Isomeric SMILES

CC1=CNC2=C(C1=O)N(C(=C2C(=O)C3=CC=CC=C3)C)C[N+]#[C-]

InChI

InChI=1S/C18H15N3O2/c1-11-9-20-15-14(18(23)13-7-5-4-6-8-13)12(2)21(10-19-3)16(15)17(11)22/h4-9H,10H2,1-2H3,(H,20,22)