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

Systemtic Name: (2E)-2-ethylidene-1-isoquinolin-1-yl-1-methoxy-3-methyl-5-oxidanylidene-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile Openeye Name: (2E)-2-ethylidene-1-(1-isoquinolyl)-1-methoxy-3-methyl-5-oxo-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile CAS Name: (2E)-2-ethylidene-1-(1-isoquinolinyl)-1-methoxy-3-methyl-5-oxo-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile IUPAC Name: (2E)-2-ethylidene-1-isoquinolin-1-yl-1-methoxy-3-methyl-5-oxo-3,4-dihydroazepino[2,1-a]isoquinoline-12b-carbonitrile Traditional Name: (2E)-2-ethylidene-1-(1-isoquinolyl)-5-keto-1-methoxy-3-methyl-3,4-dihydroazepin[2,1-a]isoquinoline-12b-carbonitrile Formula: C28H25N3O2 MolecularWeight: 435.517

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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)OC)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O2/c1-4-23-19(2)17-25(32)31-16-14-21-10-6-8-12-24(21)27(31,18-29)28(23,33-3)26-22-11-7-5-9-20(22)13-15-30-26/h4-16,19H,17H2,1-3H3/b23-4+