4-[[3-[[4-(1,3-benzodioxol-4-yl)-1-methyl-2-oxidanylidene-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-6-yl]methyl]imidazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[[4-(1,3-benzodioxol-4-yl)-1-methyl-2-oxidanylidene-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-6-yl]methyl]imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[[4-(1,3-benzodioxol-4-yl)-1-methyl-2-oxo-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-6-yl]methyl]imidazol-4-yl]methyl]benzonitrile CAS Name: 4-[[3-[[4-(1,3-benzodioxol-4-yl)-1-methyl-2-oxo-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-6-yl]methyl]-4-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[[4-(1,3-benzodioxol-4-yl)-1-methyl-2-oxo-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-6-yl]methyl]imidazol-4-yl]methyl]benzonitrile Traditional Name: 4-[[3-[[4-(1,3-benzodioxol-4-yl)-2-keto-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-6-yl]methyl]imidazol-4-yl]methyl]benzonitrile Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCN(CC2C(=CC1=O)C3=C4C(=CC=C3)OCO4)CN5C=NC=C5CC6=CC=C(C=C6)C#N

Isomeric SMILES

CN1C2CCN(CC2C(=CC1=O)C3=C4C(=CC=C3)OCO4)CN5C=NC=C5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C28H27N5O3/c1-31-25-9-10-32(17-33-16-30-14-21(33)11-19-5-7-20(13-29)8-6-19)15-24(25)23(12-27(31)34)22-3-2-4-26-28(22)36-18-35-26/h2-8,12,14,16,24-25H,9-11,15,17-18H2,1H3