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

Systemtic Name: 2-[(4aR,9aR)-4-oxidanylidene-9-(phenylmethyl)-1,2,3,9a-tetrahydrocarbazol-4a-yl]ethanenitrile Openeye Name: 2-[(4aR,9aR)-9-benzyl-4-oxo-1,2,3,9a-tetrahydrocarbazol-4a-yl]acetonitrile CAS Name: 2-[(4aR,9aR)-4-oxo-9-(phenylmethyl)-1,2,3,9a-tetrahydrocarbazol-4a-yl]acetonitrile IUPAC Name: 2-[(4aR,9aR)-9-benzyl-4-oxo-1,2,3,9a-tetrahydrocarbazol-4a-yl]acetonitrile Traditional Name: 2-[(4aR,9aR)-9-benzyl-4-keto-1,2,3,9a-tetrahydrocarbazol-4a-yl]acetonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O/c22-14-13-21-17-9-4-5-10-18(17)23(15-16-7-2-1-3-8-16)19(21)11-6-12-20(21)24/h1-5,7-10,19H,6,11-13,15H2/t19-,21-/m1/s1