5-(4-azanyl-1-phenyl-butyl)-6-oxidanylidene-4-(1-oxidanylpropan-2-yl)cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-(4-azanyl-1-phenyl-butyl)-6-oxidanylidene-4-(1-oxidanylpropan-2-yl)cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-(4-amino-1-phenyl-butyl)-4-(2-hydroxy-1-methyl-ethyl)-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-(4-amino-1-phenylbutyl)-4-(1-hydroxypropan-2-yl)-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-(4-amino-1-phenylbutyl)-4-(1-hydroxypropan-2-yl)-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-(4-amino-1-phenyl-butyl)-4-(2-hydroxy-1-methyl-ethyl)-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=CC=C(C(=O)C1C(CCCN)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(CO)C1=CC=C(C(=O)C1C(CCCN)C2=CC=CC=C2)C#N

InChI

InChI=1S/C20H24N2O2/c1-14(13-23)17-10-9-16(12-22)20(24)19(17)18(8-5-11-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,18-19,23H,5,8,11,13,21H2,1H3