(2E)-2-ethylidene-1-isoquinolin-1-yl-3-methyl-1-oxidanyl-5-oxidanylidene-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile

Systemtic Name: (2E)-2-ethylidene-1-isoquinolin-1-yl-3-methyl-1-oxidanyl-5-oxidanylidene-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile Openeye Name: (2E)-2-ethylidene-1-hydroxy-1-(1-isoquinolyl)-3-methyl-5-oxo-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile CAS Name: (2E)-2-ethylidene-1-hydroxy-1-(1-isoquinolinyl)-3-methyl-5-oxo-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile IUPAC Name: (2E)-2-ethylidene-1-hydroxy-1-isoquinolin-1-yl-3-methyl-5-oxo-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile Traditional Name: (2E)-2-ethylidene-1-hydroxy-1-(1-isoquinolyl)-5-keto-3-methyl-3,4-dihydroazepin[2,1-a]isoquinoline-12b-carbonitrile Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C(CC(=O)N2C=CC3=CC=CC=C3C2(C1(C4=NC=CC5=CC=CC=C54)O)C#N)C

Isomeric SMILES

C/C=C/1\C(CC(=O)N2C=CC3=CC=CC=C3C2(C1(C4=NC=CC5=CC=CC=C54)O)C#N)C

InChI

InChI=1S/C27H23N3O2/c1-3-22-18(2)16-24(31)30-15-13-20-9-5-7-11-23(20)26(30,17-28)27(22,32)25-21-10-6-4-8-19(21)12-14-29-25/h3-15,18,32H,16H2,1-2H3/b22-3+