4-[2-[(3-methylimino-2-oxidanylidene-pyrrolo[2,3-c]pyridin-1-yl)methyl]benzimidazol-1-yl]butyl ethanoate

Systemtic Name: 4-[2-[(3-methylimino-2-oxidanylidene-pyrrolo[2,3-c]pyridin-1-yl)methyl]benzimidazol-1-yl]butyl ethanoate Openeye Name: 4-[2-[(3-methylimino-2-oxo-pyrrolo[2,3-c]pyridin-1-yl)methyl]benzimidazol-1-yl]butyl acetate CAS Name: acetic acid 4-[2-[(3-methylimino-2-oxo-1-pyrrolo[2,3-c]pyridinyl)methyl]-1-benzimidazolyl]butyl ester IUPAC Name: 4-[2-[(3-methylimino-2-oxopyrrolo[2,3-c]pyridin-1-yl)methyl]benzimidazol-1-yl]butyl acetate Traditional Name: acetic acid 4-[2-[(2-keto-3-methylimino-pyrrolo[2,3-c]pyridin-1-yl)methyl]benzimidazol-1-yl]butyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C2=CC=CC=C2N=C1CN3C4=C(C=CN=C4)C(=NC)C3=O

Isomeric SMILES

CC(=O)OCCCCN1C2=CC=CC=C2N=C1CN3C4=C(C=CN=C4)C(=NC)C3=O

InChI

InChI=1S/C22H23N5O3/c1-15(28)30-12-6-5-11-26-18-8-4-3-7-17(18)25-20(26)14-27-19-13-24-10-9-16(19)21(23-2)22(27)29/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3