11-oxidanylidene-N-(2-piperazin-1-ylethyl)-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide

Systemtic Name: 11-oxidanylidene-N-(2-piperazin-1-ylethyl)-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide Openeye Name: 11-oxo-N-(2-piperazin-1-ylethyl)-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide CAS Name: 11-oxo-N-[2-(1-piperazinyl)ethyl]-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide IUPAC Name: 11-oxo-N-(2-piperazin-1-ylethyl)-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide Traditional Name: 11-keto-N-(2-piperazinoethyl)-[1,3]benzoxazol[3,2-b]isoquinoline-3-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC(=O)C2=CC3=C(C=C2)N4C(=CC5=CC=CC=C5C4=O)O3

Isomeric SMILES

C1CN(CCN1)CCNC(=O)C2=CC3=C(C=C2)N4C(=CC5=CC=CC=C5C4=O)O3

InChI

InChI=1S/C22H22N4O3/c27-21(24-9-12-25-10-7-23-8-11-25)16-5-6-18-19(13-16)29-20-14-15-3-1-2-4-17(15)22(28)26(18)20/h1-6,13-14,23H,7-12H2,(H,24,27)