(3aR,7aR)-2-oxidanylidene-1-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-indole-3-carbonitrile

Systemtic Name: (3aR,7aR)-2-oxidanylidene-1-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-indole-3-carbonitrile Openeye Name: (3aR,7aR)-1-benzyl-2-oxo-3a,6,7,7a-tetrahydro-3H-indole-3-carbonitrile CAS Name: (3aR,7aR)-2-oxo-1-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-indole-3-carbonitrile IUPAC Name: (3aR,7aR)-1-benzyl-2-oxo-3a,6,7,7a-tetrahydro-3H-indole-3-carbonitrile Traditional Name: (3aR,7aR)-1-benzyl-2-keto-3a,6,7,7a-tetrahydro-3H-indole-3-carbonitrile Formula: C16H16N2O MolecularWeight: 252.31104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C=C1)C(C(=O)N2CC3=CC=CC=C3)C#N

Isomeric SMILES

C1C[C@@H]2[C@H](C=C1)C(C(=O)N2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C16H16N2O/c17-10-14-13-8-4-5-9-15(13)18(16(14)19)11-12-6-2-1-3-7-12/h1-4,6-8,13-15H,5,9,11H2/t13-,14?,15-/m1/s1