7-isocyano-4a-(phenylmethyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-one

Systemtic Name: 7-isocyano-4a-(phenylmethyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-one Openeye Name: 4a-benzyl-7-isocyano-1,3,4,9,10,10a-hexahydrophenanthren-2-one CAS Name: 7-isocyano-4a-(phenylmethyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-one IUPAC Name: 4a-benzyl-7-isocyano-1,3,4,9,10,10a-hexahydrophenanthren-2-one Traditional Name: 4a-benzyl-7-isocyano-1,3,4,9,10,10a-hexahydrophenanthren-2-one Formula: C22H21NO MolecularWeight: 315.40824

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)C3(CCC(=O)CC3CC2)CC4=CC=CC=C4

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)C3(CCC(=O)CC3CC2)CC4=CC=CC=C4

InChI

InChI=1S/C22H21NO/c1-23-19-9-10-21-17(13-19)7-8-18-14-20(24)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13,18H,7-8,11-12,14-15H2