3-[(4aR,9aR)-4-oxidanylidene-9-(phenylmethyl)-1,2,3,9a-tetrahydrocarbazol-4a-yl]propanenitrile

Systemtic Name: 3-[(4aR,9aR)-4-oxidanylidene-9-(phenylmethyl)-1,2,3,9a-tetrahydrocarbazol-4a-yl]propanenitrile Openeye Name: 3-[(4aR,9aR)-9-benzyl-4-oxo-1,2,3,9a-tetrahydrocarbazol-4a-yl]propanenitrile CAS Name: 3-[(4aR,9aR)-4-oxo-9-(phenylmethyl)-1,2,3,9a-tetrahydrocarbazol-4a-yl]propanenitrile IUPAC Name: 3-[(4aR,9aR)-9-benzyl-4-oxo-1,2,3,9a-tetrahydrocarbazol-4a-yl]propanenitrile Traditional Name: 3-[(4aR,9aR)-9-benzyl-4-keto-1,2,3,9a-tetrahydrocarbazol-4a-yl]propionitrile Formula: C22H22N2O MolecularWeight: 330.42288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(=O)C1)(C3=CC=CC=C3N2CC4=CC=CC=C4)CCC#N

Isomeric SMILES

C1C[C@@H]2[C@](C(=O)C1)(C3=CC=CC=C3N2CC4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H22N2O/c23-15-7-14-22-18-10-4-5-11-19(18)24(16-17-8-2-1-3-9-17)20(22)12-6-13-21(22)25/h1-5,8-11,20H,6-7,12-14,16H2/t20-,22-/m1/s1