(5Z)-2-(azepan-1-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-imidazol-4-one

Systemtic Name: (5Z)-2-(azepan-1-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-imidazol-4-one Openeye Name: (5Z)-2-(azepan-1-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-4-one CAS Name: (5Z)-2-(1-azepanyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-imidazol-4-one IUPAC Name: (5Z)-2-(azepan-1-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-imidazol-4-one Traditional Name: (5Z)-2-(azepan-1-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-imidazolin-4-one Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=O)C(=CC3=CNC4=C3C=CC=N4)N2

Isomeric SMILES

C1CCCN(CC1)C2=NC(=O)/C(=C/C3=CNC4=C3C=CC=N4)/N2

InChI

InChI=1S/C17H19N5O/c23-16-14(10-12-11-19-15-13(12)6-5-7-18-15)20-17(21-16)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9H2,(H,18,19)(H,20,21,23)/b14-10-